#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:11:33 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178639 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/50/4075059.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4075059
loop_
_publ_author_name
'Mansfield, Natalie E.'
'Coles, Martyn P.'
'Avent, Anthony G.'
'Hitchcock, Peter B.'
_publ_section_title
;
 Coordination Chemistry of Isomeric Mixtures of Linked
 Di(phosphaguanidine) Compounds:  A Spectroscopic and
 Crystallographic Study
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2470
_journal_paper_doi               10.1021/om060014z
_journal_volume                  25
_journal_year                    2006
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C44 H70 Al2 N4 P2'
_chemical_formula_sum            'C44 H70 Al2 N4 P2'
_chemical_formula_weight         770.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2005-03-04T11:20:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                107.300(2)
_cell_angle_beta                 92.690(2)
_cell_angle_gamma                103.330(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2687(3)
_cell_length_b                   11.2746(3)
_cell_length_c                   12.3529(4)
_cell_measurement_reflns_used    13233
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     1189.98(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.883995E-1
_diffrn_orient_matrix_UB_12      -0.31007E-2
_diffrn_orient_matrix_UB_13      0.434586E-1
_diffrn_orient_matrix_UB_21      -0.681231E-1
_diffrn_orient_matrix_UB_22      -0.434614E-1
_diffrn_orient_matrix_UB_23      -0.733871E-1
_diffrn_orient_matrix_UB_31      0.56176E-2
_diffrn_orient_matrix_UB_32      -0.856663E-1
_diffrn_orient_matrix_UB_33      0.52597E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18362
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         3.41
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.16
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.076
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             418
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         4672
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0851P)²+0.9948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.16
_refine_ls_wR_factor_ref         0.1717
_reflns_number_gt                3803
_reflns_number_total             4672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060014zsi20060105_063055.cif
_cod_data_source_block           (2b)-mar505
_cod_original_cell_volume        1189.98(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P P 0.55726(7) 0.42964(6) 0.32260(6) 0.0382(2) Uani 1 1 d . . .
Al Al 0.30803(9) 0.67225(7) 0.25015(6) 0.0385(2) Uani 1 1 d . A .
N1 N 0.2896(2) 0.50523(19) 0.26848(17) 0.0365(5) Uani 1 1 d . . .
N2 N 0.5018(2) 0.64251(19) 0.27423(18) 0.0377(5) Uani 1 1 d . . .
C1 C 0.4878(3) 0.4305(2) 0.4603(2) 0.0444(6) Uani 1 1 d . . .
H1A H 0.38 0.3864 0.447 0.053 Uiso 1 1 calc R . .
H1B H 0.5412 0.3834 0.4972 0.053 Uiso 1 1 calc R . .
C2 C 0.4679(3) 0.2671(2) 0.2300(2) 0.0373(5) Uani 1 1 d . . .
C3 C 0.4450(4) 0.2440(3) 0.1130(2) 0.0520(7) Uani 1 1 d . . .
H3 H 0.4704 0.3134 0.083 0.062 Uiso 1 1 calc R . .
C4 C 0.3856(5) 0.1210(3) 0.0403(3) 0.0700(10) Uani 1 1 d . . .
H4 H 0.3687 0.1064 -0.0396 0.084 Uiso 1 1 calc R . .
C5 C 0.3508(4) 0.0197(3) 0.0818(3) 0.0693(10) Uani 1 1 d . . .
H5 H 0.3105 -0.0649 0.0308 0.083 Uiso 1 1 calc R . .
C6 C 0.3740(4) 0.0399(3) 0.1971(3) 0.0636(9) Uani 1 1 d . . .
H6 H 0.3492 -0.0304 0.2262 0.076 Uiso 1 1 calc R . .
C7 C 0.4337(4) 0.1635(3) 0.2710(2) 0.0520(7) Uani 1 1 d . . .
H7 H 0.4513 0.1773 0.3507 0.062 Uiso 1 1 calc R . .
C8 C 0.4379(3) 0.5273(2) 0.28229(18) 0.0321(5) Uani 1 1 d . A .
C9 C 0.1795(3) 0.3894(2) 0.2659(2) 0.0388(5) Uani 1 1 d . . .
H9 H 0.2322 0.3295 0.2865 0.047 Uiso 1 1 calc R . .
C10 C 0.0957(4) 0.3236(3) 0.1443(3) 0.0613(8) Uani 1 1 d . . .
H10A H 0.0445 0.3826 0.1227 0.074 Uiso 1 1 calc R . .
H10B H 0.1682 0.3038 0.0895 0.074 Uiso 1 1 calc R . .
C11 C -0.0184(4) 0.2002(4) 0.1377(4) 0.0818(11) Uani 1 1 d . . .
H11A H -0.0702 0.1587 0.0588 0.098 Uiso 1 1 calc R . .
H11B H 0.0329 0.1401 0.1573 0.098 Uiso 1 1 calc R . .
C12 C -0.1282(4) 0.2281(4) 0.2172(4) 0.0836(12) Uani 1 1 d . . .
H12A H -0.2002 0.1465 0.2133 0.1 Uiso 1 1 calc R . .
H12B H -0.1846 0.2827 0.1935 0.1 Uiso 1 1 calc R . .
C13 C -0.0553(5) 0.2960(4) 0.3399(4) 0.0869(13) Uani 1 1 d . . .
H13A H -0.0116 0.2366 0.3677 0.104 Uiso 1 1 calc R . .
H13B H -0.1323 0.3197 0.389 0.104 Uiso 1 1 calc R . .
C14 C 0.0695(4) 0.4194(3) 0.3499(3) 0.0657(9) Uani 1 1 d . . .
H14A H 0.0236 0.4849 0.3348 0.079 Uiso 1 1 calc R . .
H14B H 0.1227 0.4553 0.4286 0.079 Uiso 1 1 calc R . .
C21 C 0.2514(4) 0.6673(3) 0.0939(2) 0.0585(8) Uani 1 1 d . . .
H21A H 0.1524 0.6835 0.0881 0.088 Uiso 1 1 calc R A .
H21B H 0.2488 0.5825 0.0407 0.088 Uiso 1 1 calc R . .
H21C H 0.3247 0.7334 0.0746 0.088 Uiso 1 1 calc R . .
C22 C 0.2664(4) 0.7992(3) 0.3844(3) 0.0598(8) Uani 1 1 d . . .
H22A H 0.1675 0.8122 0.369 0.09 Uiso 1 1 calc R A .
H22B H 0.3424 0.8808 0.4009 0.09 Uiso 1 1 calc R . .
H22C H 0.2686 0.7679 0.4503 0.09 Uiso 1 1 calc R . .
C15 C 0.6613(3) 0.7014(2) 0.2865(2) 0.0389(6) Uani 0.555(9) 1 d PD A 1
H15 H 0.7122 0.6769 0.3467 0.047 Uiso 0.555(9) 1 calc PR A 1
C16 C 0.6911(6) 0.8468(5) 0.3243(6) 0.0502(15) Uiso 0.555(9) 1 d PD A 1
H16A H 0.6582 0.8776 0.4004 0.06 Uiso 0.555(9) 1 calc PR A 1
H16B H 0.6334 0.8725 0.2696 0.06 Uiso 0.555(9) 1 calc PR A 1
C17 C 0.8621(7) 0.9093(7) 0.3300(7) 0.0637(18) Uiso 0.555(9) 1 d PD A 1
H17A H 0.8798 1.0034 0.3477 0.076 Uiso 0.555(9) 1 calc PR A 1
H17B H 0.9187 0.8929 0.3917 0.076 Uiso 0.555(9) 1 calc PR A 1
C18 C 0.9164(7) 0.8530(8) 0.2166(7) 0.0632(18) Uiso 0.555(9) 1 d PD A 1
H18A H 1.0252 0.8912 0.2225 0.076 Uiso 0.555(9) 1 calc PR A 1
H18B H 0.8662 0.8773 0.157 0.076 Uiso 0.555(9) 1 calc PR A 1
C19 C 0.8870(7) 0.7066(7) 0.1794(6) 0.0627(18) Uiso 0.555(9) 1 d PD A 1
H19A H 0.9206 0.6749 0.1036 0.075 Uiso 0.555(9) 1 calc PR A 1
H19B H 0.9433 0.681 0.235 0.075 Uiso 0.555(9) 1 calc PR A 1
C20 C 0.7215(6) 0.6488(7) 0.1733(4) 0.0458(14) Uiso 0.555(9) 1 d PD A 1
H20A H 0.7023 0.5543 0.1534 0.055 Uiso 0.555(9) 1 calc PR A 1
H20B H 0.6672 0.6675 0.112 0.055 Uiso 0.555(9) 1 calc PR A 1
C15A C 0.6613(3) 0.7014(2) 0.2865(2) 0.0389(6) Uani 0.445(9) 1 d P A 2
H15A H 0.7163 0.6529 0.3219 0.047 Uiso 0.445(9) 1 calc PR A 2
C16A C 0.6913(9) 0.8407(8) 0.3676(9) 0.069(2) Uiso 0.445(9) 1 d PD A 2
H16C H 0.6278 0.8861 0.3374 0.083 Uiso 0.445(9) 1 calc PR A 2
H16D H 0.663 0.839 0.4436 0.083 Uiso 0.445(9) 1 calc PR A 2
C17A C 0.8520(9) 0.9134(9) 0.3810(9) 0.071(3) Uiso 0.445(9) 1 d PD A 2
H17C H 0.9139 0.8773 0.4238 0.086 Uiso 0.445(9) 1 calc PR A 2
H17D H 0.8631 1.0044 0.426 0.086 Uiso 0.445(9) 1 calc PR A 2
C18A C 0.9082(9) 0.9065(8) 0.2657(8) 0.060(2) Uiso 0.445(9) 1 d PD A 2
H18C H 0.8545 0.952 0.2269 0.072 Uiso 0.445(9) 1 calc PR A 2
H18D H 1.0159 0.9508 0.2781 0.072 Uiso 0.445(9) 1 calc PR A 2
C19A C 0.8851(8) 0.7694(10) 0.1897(7) 0.064(2) Uiso 0.445(9) 1 d PD A 2
H19C H 0.9437 0.7244 0.2251 0.077 Uiso 0.445(9) 1 calc PR A 2
H19D H 0.9189 0.768 0.1145 0.077 Uiso 0.445(9) 1 calc PR A 2
C20A C 0.7176(8) 0.7022(10) 0.1742(6) 0.060(2) Uiso 0.445(9) 1 d PD A 2
H20C H 0.6606 0.747 0.1372 0.072 Uiso 0.445(9) 1 calc PR A 2
H20D H 0.7 0.6126 0.1232 0.072 Uiso 0.445(9) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
C2 P C1 102.71(12) .
C2 P C8 102.95(11) .
C1 P C8 97.31(11) .
N2 Al N1 69.07(9) .
N2 Al C21 113.98(12) .
N1 Al C21 114.35(12) .
N2 Al C22 111.69(12) .
N1 Al C22 113.54(12) .
C21 Al C22 122.35(13) .
C8 N1 C9 127.6(2) .
C8 N1 Al 90.18(14) .
C9 N1 Al 142.12(16) .
C8 N2 C15 126.5(2) .
C8 N2 Al 90.43(15) .
C15 N2 Al 143.05(16) .
C1 C1 P 110.3(2) 2_666
C1 C1 H1A 109.6 2_666
P C1 H1A 109.6 .
C1 C1 H1B 109.6 2_666
P C1 H1B 109.6 .
H1A C1 H1B 108.1 .
C7 C2 C3 118.5(2) .
C7 C2 P 122.34(19) .
C3 C2 P 118.9(2) .
C4 C3 C2 120.3(3) .
C4 C3 H3 119.8 .
C2 C3 H3 119.8 .
C5 C4 C3 120.6(3) .
C5 C4 H4 119.7 .
C3 C4 H4 119.7 .
C4 C5 C6 120.1(3) .
C4 C5 H5 120 .
C6 C5 H5 120 .
C5 C6 C7 119.6(3) .
C5 C6 H6 120.2 .
C7 C6 H6 120.2 .
C2 C7 C6 120.8(3) .
C2 C7 H7 119.6 .
C6 C7 H7 119.6 .
N2 C8 N1 110.3(2) .
N2 C8 P 119.74(17) .
N1 C8 P 129.67(17) .
N1 C9 C14 111.2(2) .
N1 C9 C10 109.2(2) .
C14 C9 C10 109.7(3) .
N1 C9 H9 108.9 .
C14 C9 H9 108.9 .
C10 C9 H9 108.9 .
C11 C10 C9 110.7(3) .
C11 C10 H10A 109.5 .
C9 C10 H10A 109.5 .
C11 C10 H10B 109.5 .
C9 C10 H10B 109.5 .
H10A C10 H10B 108.1 .
C12 C11 C10 110.2(3) .
C12 C11 H11A 109.6 .
C10 C11 H11A 109.6 .
C12 C11 H11B 109.6 .
C10 C11 H11B 109.6 .
H11A C11 H11B 108.1 .
C11 C12 C13 112.3(3) .
C11 C12 H12A 109.1 .
C13 C12 H12A 109.1 .
C11 C12 H12B 109.1 .
C13 C12 H12B 109.1 .
H12A C12 H12B 107.9 .
C12 C13 C14 111.6(3) .
C12 C13 H13A 109.3 .
C14 C13 H13A 109.3 .
C12 C13 H13B 109.3 .
C14 C13 H13B 109.3 .
H13A C13 H13B 108 .
C9 C14 C13 110.8(3) .
C9 C14 H14A 109.5 .
C13 C14 H14A 109.5 .
C9 C14 H14B 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 108.1 .
Al C21 H21A 109.5 .
Al C21 H21B 109.5 .
H21A C21 H21B 109.5 .
Al C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
Al C22 H22A 109.5 .
Al C22 H22B 109.5 .
H22A C22 H22B 109.5 .
Al C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
N2 C15 C16 110.3(3) .
N2 C15 C20 109.1(3) .
C16 C15 C20 112.0(4) .
N2 C15 H15 108.4 .
C16 C15 H15 108.4 .
C20 C15 H15 108.4 .
C15 C16 C17 110.0(4) .
C15 C16 H16A 109.7 .
C17 C16 H16A 109.7 .
C15 C16 H16B 109.7 .
C17 C16 H16B 109.7 .
H16A C16 H16B 108.2 .
C18 C17 C16 109.9(5) .
C18 C17 H17A 109.7 .
C16 C17 H17A 109.7 .
C18 C17 H17B 109.7 .
C16 C17 H17B 109.7 .
H17A C17 H17B 108.2 .
C17 C18 C19 113.4(5) .
C17 C18 H18A 108.9 .
C19 C18 H18A 108.9 .
C17 C18 H18B 108.9 .
C19 C18 H18B 108.9 .
H18A C18 H18B 107.7 .
C20 C19 C18 108.8(5) .
C20 C19 H19A 109.9 .
C18 C19 H19A 109.9 .
C20 C19 H19B 109.9 .
C18 C19 H19B 109.9 .
H19A C19 H19B 108.3 .
C19 C20 C15 112.1(4) .
C19 C20 H20A 109.2 .
C15 C20 H20A 109.2 .
C19 C20 H20B 109.2 .
C15 C20 H20B 109.2 .
H20A C20 H20B 107.9 .
C17A C16A H16C 109.1 .
C17A C16A H16D 109.1 .
H16C C16A H16D 107.9 .
C16A C17A C18A 111.8(7) .
C16A C17A H17C 109.3 .
C18A C17A H17C 109.3 .
C16A C17A H17D 109.3 .
C18A C17A H17D 109.3 .
H17C C17A H17D 107.9 .
C19A C18A C17A 111.9(7) .
C19A C18A H18C 109.2 .
C17A C18A H18C 109.2 .
C19A C18A H18D 109.2 .
C17A C18A H18D 109.2 .
H18C C18A H18D 107.9 .
C18A C19A C20A 108.1(7) .
C18A C19A H19C 110.1 .
C20A C19A H19C 110.1 .
C18A C19A H19D 110.1 .
C20A C19A H19D 110.1 .
H19C C19A H19D 108.4 .
C19A C20A H20C 109.2 .
C19A C20A H20D 109.2 .
H20C C20A H20D 107.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P C2 1.822(2) .
P C1 1.845(3) .
P C8 1.876(2) .
Al N2 1.927(2) .
Al N1 1.933(2) .
Al C21 1.958(3) .
Al C22 1.962(3) .
N1 C8 1.333(3) .
N1 C9 1.451(3) .
N2 C8 1.333(3) .
N2 C15 1.454(3) .
C1 C1 1.539(5) 2_666
C1 H1A 0.99 .
C1 H1B 0.99 .
C2 C7 1.384(4) .
C2 C3 1.387(4) .
C3 C4 1.376(4) .
C3 H3 0.95 .
C4 C5 1.367(5) .
C4 H4 0.95 .
C5 C6 1.372(5) .
C5 H5 0.95 .
C6 C7 1.386(4) .
C6 H6 0.95 .
C7 H7 0.95 .
C9 C14 1.510(4) .
C9 C10 1.541(4) .
C9 H9 1 .
C10 C11 1.519(5) .
C10 H10A 0.99 .
C10 H10B 0.99 .
C11 C12 1.468(6) .
C11 H11A 0.99 .
C11 H11B 0.99 .
C12 C13 1.521(6) .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 C14 1.559(5) .
C13 H13A 0.99 .
C13 H13B 0.99 .
C14 H14A 0.99 .
C14 H14B 0.99 .
C21 H21A 0.98 .
C21 H21B 0.98 .
C21 H21C 0.98 .
C22 H22A 0.98 .
C22 H22B 0.98 .
C22 H22C 0.98 .
C15 C16 1.518(6) .
C15 C20 1.533(5) .
C15 H15 1 .
C16 C17 1.569(7) .
C16 H16A 0.99 .
C16 H16B 0.99 .
C17 C18 1.518(8) .
C17 H17A 0.99 .
C17 H17B 0.99 .
C18 C19 1.530(8) .
C18 H18A 0.99 .
C18 H18B 0.99 .
C19 C20 1.511(7) .
C19 H19A 0.99 .
C19 H19B 0.99 .
C20 H20A 0.99 .
C20 H20B 0.99 .
C16A C17A 1.500(9) .
C16A H16C 0.99 .
C16A H16D 0.99 .
C17A C18A 1.526(9) .
C17A H17C 0.99 .
C17A H17D 0.99 .
C18A C19A 1.511(9) .
C18A H18C 0.99 .
C18A H18D 0.99 .
C19A C20A 1.538(9) .
C19A H19C 0.99 .
C19A H19D 0.99 .
C20A H20C 0.99 .
C20A H20D 0.99 .
