#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/97/2009763.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2009763
loop_
_publ_author_name
'Hernández-Quiroz, T.'
'Soriano-García, M.'
'Rodríguez-Romero, A.'
'Valencia, C.'
'Hernández, L.'
'Aguirre-García, F.'
_publ_section_title
;[2α(2S,3S,4R,6R),3β,5α]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide
 dihydrate (calactin), C₂₉H₃₉O₉.2H₂O, a cardenolide from Asclepias
 linaria
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              935
_journal_page_last               938
_journal_paper_doi               10.1107/S0108270193010790
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C29 H39 O9, 2H2 O1'
_chemical_formula_sum            'C29 H43 O11'
_chemical_formula_weight         567.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   29.868(7)
_cell_length_b                   12.567(4)
_cell_length_c                   14.705(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.1
_cell_measurement_theta_min      4.9
_cell_volume                     5520(3)
_diffrn_measurement_device       'Nicolet P3/F'
_diffrn_measurement_method       2θ/θ
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3962
_diffrn_reflns_theta_max         55
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_description       Needle-shaped
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.10
_refine_diff_density_max         -0.27
_refine_diff_density_min         0.21
_refine_ls_extinction_coef       '\c = 0.00024(12)(SHELXTL; Sheldrick, 1978)'
_refine_ls_extinction_method     empirical
_refine_ls_goodness_of_fit_obs   1.21
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     734
_refine_ls_number_reflns         3262
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.28
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fₒ) + 0.0031(Fₒ)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.081
_reflns_number_observed          3262
_reflns_number_total             3942
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            cd1053.cif
_cod_data_source_block           cd1053_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~) +
0.0031(F~o~)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F~o~) + 0.0031(F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5519(3)
_cod_database_code               2009763
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O(1) 1.0000 .5000 .7091(7) .133(4)
O(2) .9608(3) .3914(8) .5492(7) .136(5)
O(1A) .93790(10) .8072(3) .3419(3) .0540(10)
O(2A) 1.02200(10) .6990(5) .1113(3) .078(2)
O(3A) 1.0083(2) .6439(7) -.0273(3) .134(3)
O(4A) .66340(10) .7241(3) .7394(3) .0550(10)
O(5A) .68890(10) .8763(3) .6758(3) .0530(10)
O(6A) .66680(10) .7280(4) .5395(3) .0580(10)
O(7A) .6168(2) .8709(5) .5486(3) .0860(10)
O(8A) .5565(2) .7450(6) .6306(4) .103(2)
O(9A) .7458(3) .8916(8) .3332(6) .078(4)
O(9') .7747(5) .9777(12) .4025(10) .099(6)
C(1A) .7392(2) .7372(5) .4738(4) .046(2)
C(2A) .7047(2) .7955(5) .5294(3) .044(2)
C(3A) .7231(2) .8260(5) .6211(4) .044(2)
C(4A) .7619(2) .9003(5) .6094(4) .049(2)
C(5A) .7984(2) .8453(5) .5531(4) .043(2)
C(6A) .8416(2) .9105(5) .5459(4) .055(2)
C(7A) .8780(2) .8461(5) .4995(4) .054(2)
C(8A) .8637(2) .8006(4) .4070(4) .041(2)
C(9A) .8188(2) .7380(4) .4144(3) .035(2)
C(10A) .7813(2) .8053(4) .4595(4) .039(2)
C(11A) .8058(2) .6916(4) .3223(4) .043(2)
C(12A) .8437(2) .6229(5) .2831(4) .045(2)
C(13A) .8880(2) .6861(4) .2706(3) .040(2)
C(14A) .9015(2) .7365(4) .3627(4) .041(2)
C(15A) .9192(2) .6420(5) .4188(4) .052(2)
C(16A) .9466(2) .5786(5) .3501(4) .064(2)
C(17A) .9261(2) .5995(5) .2553(4) .048(2)
C(18A) .8833(2) .7647(5) .1937(4) .052(2)
C(19A) .7691(2) .8959(5) .3972(4) .058(2)
C(20A) .9600(2) .6280(5) .1828(4) .049(2)
C(21A) .9597(2) .6016(7) .0979(4) .075(3)
C(22A) .9977(2) .6457(7) .0519(4) .078(3)
C(23A) 1.0009(2) .6917(7) .1988(4) .077(3)
C(24A) .6275(2) .6512(5) .7547(4) .066(2)
C(25A) .6104(2) .6069(6) .6642(5) .082(3)
C(26A) .5965(2) .6948(7) .5997(5) .079(3)
C(27A) .6324(2) .7764(6) .5922(4) .066(2)
C(28A) .6509(2) .8113(5) .6859(4) .053(2)
C(29A) .6458(3) .5661(6) .8190(5) .101(4)
O(1B) .92480(10) .2945(3) .8536(2) .0520(10)
O(2B) 1.01390(10) .1956(4) .6324(3) .076(2)
O(3B) 1.0039(2) .1354(5) .4918(3) .091(2)
O(4B) .65890(10) .1916(3) 1.2670(2) .0530(10)
O(5B) .67240(10) .3383(3) 1.1850(3) .0600(10)
O(6B) .65800(10) .1690(3) 1.0637(2) .0520(10)
O(7B) .5952(2) .2806(4) 1.0694(3) .083(2)
O(8B) .55130(10) .1367(4) 1.1759(3) .078(2)
O(9B) .7186(3) .3727(8) .8707(7) .108(4)
O(9") .7530(8) .4432(18) .9086(16) .183(8)
C(1B) .7279(2) .1991(5) .9889(4) .050(2)
C(2B) .6915(2) .2496(5) 1.0460(4) .047(2)
C(3B) .7088(2) .2920(4) 1.1321(4) .049(2)
C(4B) .7445(2) .3757(5) 1.1163(4) .057(2)
C(5B) .7832(2) .3226(4) 1.0620(3) .043(2)
C(6B) .8241(2) .3930(5) 1.0524(4) .055(2)
C(7B) .8623(2) .3314(5) 1.0093(4) .052(2)
C(8B) .8500(2) .2820(4) .9174(4) .040(2)
C(9B) .8069(2) .2162(4) .9252(4) .041(2)
C(10B) .7674(2) .2769(4) .9704(3) .041(2)
C(11B) .7952(2) .1696(5) .8316(4) .048(2)
C(12B) .8337(2) .1031(4) .7943(4) .046(2)
C(13B) .8774(2) .1674(4) .7829(4) .042(2)
C(14B) .8890(2) .2207(4) .8745(4) .041(2)
C(15B) .9075(2) .1285(5) .9314(4) .052(2)
C(16B) .9350(2) .0621(5) .8651(4) .064(2)
C(17B) .9168(2) .0853(5) .7690(4) .049(2)
C(18B) .8725(2) .2447(4) .7036(4) .048(2)
C(19B) .7527(2) .3641(5) .9056(4) .060(2)
C(20B) .9512(2) .1152(5) .6996(4) .049(2)
C(21B) .9538(2) .0864(5) .6145(4) .055(2)
C(22B) .9915(2) .1366(6) .5707(4) .068(2)
C(23B) .9899(2) .1909(7) .7189(4) .078(3)
C(24B) .6301(2) .1061(4) 1.2939(4) .055(2)
C(25B) .6173(2) .0414(5) 1.2117(4) .059(2)
C(26B) .5942(2) .1062(5) 1.1418(4) .057(2)
C(27B) .6220(2) .2069(5) 1.1180(4) .059(2)
C(28B) .6398(2) .2624(5) 1.2046(4) .057(2)
C(29B) .6557(3) .0408(5) 1.3632(4) .078(3)
H(2) .9673(17) .430(4) .561(3) ?
H(1A) .9495(17) .828(4) .387(4) ?
H(7A) .589(2) .831(5) .535(4) ?
H(8AA) .559(2) .660(5) .667(4) ?
H(1AA) .7474 .6729 .5048 ?
H(1AB) .7265 .7198 .4156 ?
H(2A) .6964 .8600 .4989 ?
H(3A) .7330 .7627 .6516 ?
H(4AA) .7521 .9634 .5784 ?
H(4AB) .7737 .9191 .6680 ?
H(5A) .8062 .7827 .5870 ?
H(6AA) .8515 .9299 .6058 ?
H(6AB) .8359 .9737 .5111 ?
H(7AA) .9035 .8912 .4905 ?
H(7AB) .8860 .7879 .5386 ?
H(8A) .8580 .8590 .3666 ?
H(9A) .8230 .6788 .4547 ?
H(11A) .7795 .6486 .3294 ?
H(11B) .7997 .7488 .2809 ?
H(12A) .8490 .5646 .3238 ?
H(12B) .8344 .5959 .2250 ?
H(15A) .8950 .6001 .4422 ?
H(15B) .9376 .6661 .4682 ?
H(16A) .9773 .6016 .3514 ?
H(16B) .9452 .5040 .3642 ?
H(17A) .9136 .5355 .2305 ?
H(18A) .9084 .8124 .1938 ?
H(18B) .8561 .8047 .2015 ?
H(18C) .8822 .7271 .1369 ?
H(21A) .9371 .5585 .0696 ?
H(23A) 1.0203 .6567 .2415 ?
H(23B) .9934 .7612 .2211 ?
H(24A) .6018 .6841 .7822 ?
H(25A) .5851 .5617 .6756 ?
H(25B) .6339 .5661 .6362 ?
H(26A) .5912 .6635 .5411 ?
H(28A) .6270 .8494 .7151 ?
H(29A) .6213 .5266 .8446 ?
H(29B) .6624 .5997 .8670 ?
H(29C) .6651 .5187 .7861 ?
H(1B) .9408(17) .316(4) .896(4) ?
H(7B) .6110(17) .339(4) 1.054(4) ?
H(8BB) .5543(17) .189(4) 1.136(4) ?
H(1BA) .7391 .1377 1.0203 ?
H(1BB) .7152 .1775 .9317 ?
H(2B) .6791 .3088 1.0133 ?
H(3B) .7220 .2337 1.1647 ?
H(4BA) .7323 .4341 1.0822 ?
H(4BB) .7555 .4012 1.1736 ?
H(5B) .7927 .2630 1.0979 ?
H(6BA) .8169 .4531 1.0148 ?
H(6BB) .8332 .4174 1.1115 ?
H(7BA) .8871 .3789 1.0005 ?
H(7BB) .8709 .2753 1.0499 ?
H(8B) .8441 .3390 .8756 ?
H(9B) .8124 .1586 .9666 ?
H(11C) .7891 .2268 .7902 ?
H(11D) .7691 .1255 .8373 ?
H(12C) .8393 .0452 .8354 ?
H(12D) .8251 .0754 .7360 ?
H(15C) .8836 .0871 .9566 ?
H(15D) .9261 .1549 .9796 ?
H(16C) .9661 .0816 .8688 ?
H(16D) .9318 -.0122 .8789 ?
H(17B) .9058 .0213 .7413 ?
H(18D) .8455 .2852 .7110 ?
H(18E) .8711 .2055 .6476 ?
H(18F) .8977 .2920 .7022 ?
H(21B) .9335 .0382 .5852 ?
H(23C) 1.0088 .1635 .7662 ?
H(23D) .9790 .2599 .7361 ?
H(24B) .6027 .1315 1.3204 ?
H(25C) .5977 -.0151 1.2305 ?
H(25D) .6440 .0118 1.1856 ?
H(26B) .5908 .0649 1.0873 ?
H(28B) .6137 .2949 1.2307 ?
H(29D) .6842 .0208 1.3384 ?
H(29E) .6389 -.0221 1.3778 ?
H(29F) .6602 .0822 1.4173 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C(22A) O(2A) C(23A) 108.6(5) yes
C(24A) O(4A) C(28A) 112.9(4) yes
C(3A) O(5A) C(28A) 112.1(4) yes
C(2A) O(6A) C(27A) 112.1(5) yes
O(9') O(9A) C(19A) 36.5(7) yes
O(9A) O(9') C(19A) 41.9(7) yes
C(2A) C(1A) C(10A) 111.3(5) yes
O(6A) C(2A) C(1A) 108.1(5) yes
O(6A) C(2A) C(3A) 110.5(4) yes
C(1A) C(2A) C(3A) 111.2(4) yes
O(5A) C(3A) C(2A) 110.5(4) yes
O(5A) C(3A) C(4A) 109.8(5) yes
C(2A) C(3A) C(4A) 109.8(4) yes
C(3A) C(4A) C(5A) 109.3(5) yes
C(4A) C(5A) C(6A) 113.3(5) yes
C(4A) C(5A) C(10A) 113.0(4) yes
C(6A) C(5A) C(10A) 112.9(4) yes
C(5A) C(6A) C(7A) 110.4(5) yes
C(6A) C(7A) C(8A) 113.5(4) yes
C(7A) C(8A) C(9A) 111.3(4) yes
C(7A) C(8A) C(14A) 111.6(4) yes
C(9A) C(8A) C(14A) 113.5(4) yes
C(8A) C(9A) C(10A) 112.1(4) yes
C(8A) C(9A) C(11A) 110.5(4) yes
C(10A) C(9A) C(11A) 113.9(4) yes
C(1A) C(10A) C(5A) 109.2(4) yes
C(1A) C(10A) C(9A) 110.2(4) yes
C(5A) C(10A) C(9A) 108.6(4) yes
C(1A) C(10A) C(19A) 107.9(4) yes
C(5A) C(10A) C(19A) 112.0(5) yes
C(9A) C(10A) C(19A) 109.0(4) yes
C(9A) C(11A) C(12A) 111.2(4) yes
C(11A) C(12A) C(13A) 112.7(5) yes
C(12A) C(13A) C(14A) 109.1(4) yes
C(12A) C(13A) C(17A) 106.1(4) yes
C(14A) C(13A) C(17A) 102.6(4) yes
C(12A) C(13A) C(18A) 110.0(4) yes
C(14A) C(13A) C(18A) 114.3(5) yes
C(17A) C(13A) C(18A) 114.2(4) yes
O(1A) C(14A) C(8A) 108.9(4) yes
O(1A) C(14A) C(13A) 105.2(4) yes
C(8A) C(14A) C(13A) 113.3(4) yes
O(1A) C(14A) C(15A) 109.3(4) yes
C(8A) C(14A) C(15A) 115.6(4) yes
C(13A) C(14A) C(15A) 104.0(4) yes
C(14A) C(15A) C(16A) 103.5(5) yes
C(15A) C(16A) C(17A) 107.2(5) yes
C(13A) C(17A) C(16A) 105.8(4) yes
C(13A) C(17A) C(20A) 114.6(5) yes
C(16A) C(17A) C(20A) 114.3(4) yes
O(9A) C(19A) O(9') 101.5(10) yes
O(9A) C(19A) C(10A) 126.7(7) yes
O(9') C(19A) C(10A) 131.3(10) yes
C(17A) C(20A) C(21A) 128.0(5) yes
C(17A) C(20A) C(23A) 124.7(5) yes
C(21A) C(20A) C(23A) 107.3(5) yes
C(20A) C(21A) C(22A) 110.5(6) yes
O(2A) C(22A) O(3A) 120.3(7) yes
O(2A) C(22A) C(21A) 108.7(5) yes
O(3A) C(22A) C(21A) 130.9(7) yes
O(2A) C(23A) C(20A) 104.8(5) yes
O(4A) C(24A) C(25A) 110.2(5) yes
O(4A) C(24A) C(29A) 106.1(6) yes
C(25A) C(24A) C(29A) 113.7(6) yes
C(24A) C(25A) C(26A) 111.7(6) yes
O(8A) C(26A) C(25A) 110.7(6) yes
O(8A) C(26A) C(27A) 108.8(7) yes
C(25A) C(26A) C(27A) 110.6(6) yes
O(6A) C(27A) O(7A) 110.3(5) yes
O(6A) C(27A) C(26A) 105.4(6) yes
O(7A) C(27A) C(26A) 111.8(5) yes
O(6A) C(27A) C(28A) 110.3(4) yes
O(7A) C(27A) C(28A) 106.3(5) yes
C(26A) C(27A) C(28A) 112.8(5) yes
O(4A) C(28A) O(5A) 107.4(4) yes
O(4A) C(28A) C(27A) 111.9(5) yes
O(5A) C(28A) C(27A) 111.0(5) yes
C(22B) O(2B) C(23B) 108.7(5) yes
C(24B) O(4B) C(28B) 114.4(4) yes
C(3B) O(5B) C(28B) 111.0(4) yes
C(2B) O(6B) C(27B) 112.9(4) yes
O(9") O(9B) C(19B) 42.7(10) yes
O(9B) O(9") C(19B) 51.2(12) yes
C(2B) C(1B) C(10B) 112.1(5) yes
O(6B) C(2B) C(1B) 107.6(5) yes
O(6B) C(2B) C(3B) 110.0(4) yes
C(1B) C(2B) C(3B) 112.2(5) yes
O(5B) C(3B) C(2B) 110.0(5) yes
O(5B) C(3B) C(4B) 109.2(4) yes
C(2B) C(3B) C(4B) 111.5(5) yes
C(3B) C(4B) C(5B) 107.6(5) yes
C(4B) C(5B) C(6B) 113.3(5) yes
C(4B) C(5B) C(10B) 112.4(4) yes
C(6B) C(5B) C(10B) 112.6(4) yes
C(5B) C(6B) C(7B) 110.3(5) yes
C(6B) C(7B) C(8B) 113.4(5) yes
C(7B) C(8B) C(9B) 110.6(4) yes
C(7B) C(8B) C(14B) 112.7(4) yes
C(9B) C(8B) C14B) 113.4(4) yes
C(8B) C(9B) C(10B) 113.9(4) yes
C(8B) C(9B) C(11B) 109.2(4) yes
C(10B) C(9B) C(11B) 113.4(4) yes
C(1B) C(10B) C(5B) 108.4(4) yes
C(1B) C(10B) C(9B) 110.0(4) yes
C(5B) C(10B) C(9B) 108.9(4) yes
C(1B) C(10B) C(19B) 110.1(4) yes
C(5B) C(10B) C(19B) 111.7(4) yes
C(9B) C(10B) C(19B) 107.8(4) yes
C(9B) C(11B) C(12B) 111.1(4) yes
C(11B) C(12B) C(13B) 113.0(5) yes
C(12B) C(13B) C(14B) 108.8(4) yes
C(12B) C(13B) C(17B) 107.6(4) yes
C(14B) C(13B) C(17B) 103.2(4) yes
C(12B) C(13B) C(18B) 109.6(4) yes
C(14B) C(13B) C(18B) 114.4(4) yes
C(17B) C(13B) C(18B) 112.9(4) yes
O(1B) C(14B) C(8B) 109.0(4) yes
O(1B) C(14B) C(13B) 105.0(4) yes
C(8B) C(14B) C(13B) 114.0(4) yes
O(1B) C(14B) C(15B) 109.5(4) yes
C(8B) C(14B) C(15B) 115.4(4) yes
C(13B) C(14B) C(15B) 103.3(4) yes
C(14B) C(15B) C(16B) 105.0(5) yes
C(15B) C(16B) C(17B) 107.0(5) yes
C(13B) C(17B) C(16B) 105.6(4) yes
C(13B) C(17B) C(20B) 115.9(5) yes
C(16B) C(17B) C(20B) 115.5(5) yes
O(9B) C(19B) O(9") 86.1(15) yes
O(9B) C(19B) C(10B) 127.4(7) yes
O(9") C(19B) C(10B) 133.7(15) yes
C(17B) C(20B) C(21B) 128.8(5) yes
C(17B) C(20B) C(23B) 123.4(5) yes
C(21B) C(20B) C(23B) 107.8(5) yes
C(20B) C(21B) C(22B) 110.8(5) yes
O(2B) C(22B) O(3B) 119.8(6) yes
O(2B) C(22B) C(21B) 109.1(5) yes
O(3B) C(22B) C(21B) 131.1(6) yes
O(2B) C(23B) C(20B) 103.6(5) yes
O(4B) C(24B) C(25B) 109.6(5) yes
O(4B) C(24B) C(29B) 106.8(5) yes
C(25B) C(24B) C(29B) 112.0(5) yes
C(24B) C(25B) C(26B) 112.2(5) yes
O(8B) C(26B) C(25B) 108.7(5) yes
O(8B) C(26B) C(27B) 109.9(5) yes
C(25B) C(26B) C(27B) 110.7(5) yes
O(6B) C(27B) O(7B) 111.2(5) yes
O(6B) C(27B) C(26B) 105.0(5) yes
O(7B) C(27B) C(26B) 110.1(5) yes
O(6B) C(27B) C(28B) 110.7(5) yes
O(7B) C(27B) C(28B) 108.4(5) yes
C(26B) C(27B) C(28B) 111.5(5) yes
O(4B) C(28B) O(5B) 106.6(5) yes
O(4B) C(28B) C(27B) 113.2(5) yes
O(5B) C(28B) C(27B) 112.2(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
O(1A) C(14A) 1.438(6) yes
O(2A) C(22A) 1.318(8) yes
O(2A) C(23A) 1.434(7) yes
O(3A) C(22A) 1.207(7) yes
O(4A) C(24A) 1.430(8) yes
O(4A) C(28A) 1.400(7) yes
O(5A) C(3A) 1.447(6) yes
O(5A) C(28A) 1.406(7) yes
O(6A) C(2A) 1.422(7) yes
O(6A) C(27A) 1.424(7) yes
O(7A) C(27A) 1.428(9) yes
O(8A) C(26A) 1.424(9) yes
O(9A) O(9') 1.720(17) yes
O(9A) C(19A) 1.173(11) yes
O(9') C(19A) 1.044(17) yes
C(1A) C(2A) 1.506(7) yes
C(1A) C(10A) 1.536(7) yes
C(2A) C(3A) 1.506(7) yes
C(3A) C(4A) 1.498(8) yes
C(4A) C(5A) 1.532(8) yes
C(5A) C(6A) 1.533(8) yes
C(5A) C(10A) 1.552(7) yes
C(6A) C(7A) 1.516(8) yes
C(7A) C(8A) 1.536(8) yes
C(8A) C(9A) 1.560(7) yes
C(8A) C(14A) 1.532(7) yes
C(9A) C(10A) 1.551(7) yes
C(9A) C(11A) 1.525(7) yes
C(10A) C(19A) 1.506(8) yes
C(11A) C(12A) 1.534(7) yes
C(12A) C(13A) 1.556(7) yes
C(13A) C(14A) 1.549(7) yes
C(13A) C(17A) 1.590(8) yes
C(13A) C(18A) 1.508(8) yes
C(14A) C(15A) 1.539(8) yes
C(15A) C(16A) 1.525(9) yes
C(16A) C(17A) 1.546(8) yes
C(17A) C(20A) 1.512(8) yes
C(20A) C(21A) 1.291(9) yes
C(20A) C(23A) 1.481(9) yes
C(21A) C(22A) 1.434(9) yes
C(24A) C(25A) 1.531(10) yes
C(24A) C(29A) 1.529(10) yes
C(25A) C(26A) 1.515(11) yes
C(26A) C(27A) 1.487(10) yes
C(27A) C(28A) 1.548(9) yes
O(1B) C(14B) 1.447(6) yes
O(2B) C(22B) 1.349(8) yes
O(2B) C(23B) 1.462(8) yes
O(3B) C(22B) 1.218(8) yes
O(4B) C(24B) 1.433(7) yes
O(4B) C(28B) 1.399(7) yes
O(5B) C(3B) 1.458(7) yes
O(5B) C(28B) 1.393(7) yes
O(6B) C(2B) 1.447(7) yes
O(6B) C(27B) 1.422(7) yes
O(7B) C(27B) 1.417(8) yes
O(8B) C(26B) 1.427(7) yes
O(9B) O(9") 1.47(3) yes
O(9B) C(19B) 1.144(11) yes
O(9") C(19B) 1.00(2) yes
C(1B) C(2B) 1.513(8) yes
C(1B) C(10B) 1.557(8) yes
C(2B) C(3B) 1.469(8) yes
C(3B) C(4B) 1.517(8) yes
C(4B) C(5B) 1.555(8) yes
C(5B) C(6B) 1.516(8) yes
C(5B) C(10B) 1.537(7) yes
C(6B) C(7B) 1.517(8) yes
C(7B) C(8B) 1.531(8) yes
C(8B) C(9B) 1.536(7) yes
C(8B) C(14B) 1.532(7) yes
C(9B) C(10B) 1.555(7) yes
C(9B) C(11B) 1.536(8) yes
C(10B) C(19B) 1.516(8) yes
C(11B) C(12B) 1.525(8) yes
C(12B) C(13B) 1.544(7) yes
C(13B) C(14B) 1.544(7) yes
C(13B) C(17B) 1.578(8) yes
C(13B) C(18B) 1.524(8) yes
C(14B) C(15B) 1.532(8) yes
C(15B) C(16B) 1.524(8) yes
C(16B) C(17B) 1.543(8) yes
C(17B) C(20B) 1.496(8) yes
C(20B) C(21B) 1.305(9) yes
C(20B) C(23B) 1.523(9) yes
C(21B) C(22B) 1.441(9) yes
C(24B) C(25B) 1.506(8) yes
C(24B) C(29B) 1.516(9) yes
C(25B) C(26B) 1.483(9) yes
C(26B) C(27B) 1.554(9) yes
C(27B) C(28B) 1.546(9) yes
