#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:44:55 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281596 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/91/7159153.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_7159153
loop_
_publ_author_name
'Laha, Banamali'
'Suresh, Alati'
'Namboothiri, Irishi N. N.'
_publ_section_title
;
 Regio- and stereoselective synthesis of functionalized
 tetrahydro-benzochromenes and hexahydrochromenochromenones via [4
 + 2] annulation of curcumins with nitrochromenes.
;
_journal_issue                   9
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              1872
_journal_page_last               1877
_journal_paper_doi               10.1039/d2ob02211g
_journal_volume                  21
_journal_year                    2023
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C34 H26 Br N O5'
_chemical_formula_sum            'C34 H26 Br N O5'
_chemical_formula_weight         608.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-04-27
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2022-09-14 deposited with the CCDC.	2023-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.667(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.6287(9)
_cell_length_b                   11.9136(7)
_cell_length_c                   12.2552(9)
_cell_measurement_reflns_used    1810
_cell_measurement_temperature    200(16)
_cell_measurement_theta_max      17.0870
_cell_measurement_theta_min      2.0900
_cell_volume                     1421.3(2)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200(16)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.81  15.69   0.50    2.00    --   -9.84 -59.25  20.08  233
  2  ω   -100.81  15.69   0.50    2.00    --   -9.84 -59.25 164.08  233
  3  ω   -100.81  15.69   0.50    2.00    --   -9.84 -59.25 -51.92  233
  4  ω   -100.81  15.69   0.50    2.00    --   -9.84 -59.25  92.08  233
  5  φ   -150.27  33.73   0.50    2.00  81.02  -9.84  31.50    --   368
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0415227000
_diffrn_orient_matrix_UB_12      0.0453784000
_diffrn_orient_matrix_UB_13      -0.0033181000
_diffrn_orient_matrix_UB_21      -0.0375585000
_diffrn_orient_matrix_UB_22      0.0370719000
_diffrn_orient_matrix_UB_23      0.0209315000
_diffrn_orient_matrix_UB_31      0.0465814000
_diffrn_orient_matrix_UB_32      -0.0105728000
_diffrn_orient_matrix_UB_33      0.0595710000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1093
_diffrn_reflns_av_unetI/netI     0.0916
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            25964
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.992
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_min         1.814
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.490
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.201
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details
;
 Flack x determined using 997 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.016(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4992
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0167P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0886
_reflns_Friedel_coverage         0.899
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                3014
_reflns_number_total             4992
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ob02211g3.cif
_cod_data_source_block           inn_bl_as_43_autored
_cod_depositor_comments
'Adding full bibliography for 7159152--7159153.cif.'
_cod_database_code               7159153
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CHNOBr
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 90.03
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     33.73
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C008(H008), C009(H009), C00E(H00E)
2.b Secondary CH2 refined with riding coordinates:
 C00L(H00A,H00B)
2.c Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00H(H00H), C00I(H00I), C00N(H00N), C00P(H00P), C00R(H00R),
 C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X),
 C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015)
2.d Idealised tetrahedral OH refined as rotating group:
 O005(H005)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.397
_oxdiff_exptl_absorpt_empirical_full_min 0.822
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br01 Br 0.69512(10) 0.13944(9) 0.11079(7) 0.0893(4) Uani 1 1 d . . . . .
O002 O 0.5676(4) 0.4596(4) 0.5265(4) 0.0439(11) Uani 1 1 d . . . . .
O003 O 0.2008(5) 0.4414(4) 0.2233(4) 0.0554(13) Uani 1 1 d . . . . .
O004 O 0.2963(5) 0.8582(4) 0.1977(4) 0.0633(15) Uani 1 1 d . . . . .
O005 O 0.4825(6) 0.8589(4) 0.1273(5) 0.0665(15) Uani 1 1 d . . . . .
H005 H 0.419292 0.884820 0.144639 0.100 Uiso 1 1 calc GR . . . .
O006 O 0.3184(5) 0.5085(4) 0.1297(4) 0.0619(15) Uani 1 1 d . . . . .
N007 N 0.2984(6) 0.4935(5) 0.2196(5) 0.0474(16) Uani 1 1 d . . . . .
C008 C 0.3291(6) 0.6140(6) 0.3976(5) 0.0401(18) Uani 1 1 d . . . . .
H008 H 0.404472 0.648942 0.467690 0.048 Uiso 1 1 calc R . . . .
C009 C 0.4690(6) 0.4289(5) 0.4117(5) 0.0372(16) Uani 1 1 d . . . . .
H009 H 0.394081 0.386509 0.423290 0.045 Uiso 1 1 calc R . . . .
C00A C 0.5305(7) 0.3516(5) 0.3470(6) 0.0397(17) Uani 1 1 d . . . . .
C00B C 0.3426(7) 0.7667(6) 0.2523(7) 0.046(2) Uani 1 1 d . . . . .
C00C C 0.4612(7) 0.7140(6) 0.2508(6) 0.0453(19) Uani 1 1 d . . . . .
C00D C 0.6316(6) 0.6243(6) 0.4418(5) 0.0391(16) Uani 1 1 d . . . . .
C00E C 0.5138(6) 0.6057(5) 0.3188(5) 0.0396(18) Uani 1 1 d . . . . .
H00E H 0.550362 0.558338 0.270741 0.048 Uiso 1 1 calc R . . . .
C00F C 0.2335(7) 0.5612(6) 0.4479(6) 0.0466(18) Uani 1 1 d . . . . .
C00G C 0.4494(7) 0.2698(6) 0.2694(6) 0.0485(19) Uani 1 1 d . . . . .
H00G H 0.358370 0.257717 0.263218 0.058 Uiso 1 1 calc R . . . .
C00H C 0.7229(7) 0.7133(6) 0.4627(6) 0.0500(19) Uani 1 1 d . . . . .
H00H H 0.711207 0.764682 0.400056 0.060 Uiso 1 1 calc R . . . .
C00I C 0.4990(8) 0.2057(6) 0.2012(6) 0.055(2) Uani 1 1 d . . . . .
H00I H 0.441906 0.151001 0.147807 0.065 Uiso 1 1 calc R . . . .
C00J C 0.8027(8) 0.7019(7) 0.0658(7) 0.054(2) Uani 1 1 d . . . . .
C00K C 0.5228(8) 0.7618(6) 0.1805(6) 0.051(2) Uani 1 1 d . . . . .
C00L C 0.2606(7) 0.7128(6) 0.3128(6) 0.0506(19) Uani 1 1 d . . . . .
H00A H 0.173282 0.685485 0.250528 0.061 Uiso 1 1 calc R . . . .
H00B H 0.237061 0.771272 0.358835 0.061 Uiso 1 1 calc R . . . .
C00M C 0.6534(6) 0.5503(6) 0.5350(6) 0.0414(17) Uani 1 1 d . . . . .
C00N C 0.8491(7) 0.6529(7) 0.6639(6) 0.0546(19) Uani 1 1 d . . . . .
H00N H 0.923724 0.662163 0.739066 0.065 Uiso 1 1 calc R . . . .
C00O C 0.4036(6) 0.5375(6) 0.3392(6) 0.0403(17) Uani 1 1 d . . . . .
C00P C 0.6662(7) 0.3606(6) 0.3604(7) 0.057(2) Uani 1 1 d . . . . .
H00P H 0.725663 0.411713 0.417266 0.068 Uiso 1 1 calc R . . . .
C00Q C 0.6311(9) 0.2215(7) 0.2109(7) 0.058(2) Uani 1 1 d . . . . .
C00R C 0.8306(7) 0.7290(6) 0.5728(7) 0.056(2) Uani 1 1 d . . . . .
H00R H 0.891059 0.791072 0.585747 0.067 Uiso 1 1 calc R . . . .
C00S C 0.9925(9) 0.6010(8) -0.0078(8) 0.071(3) Uani 1 1 d . . . . .
H00S H 1.058962 0.567333 -0.031001 0.085 Uiso 1 1 calc R . . . .
C00T C 0.6334(7) 0.7082(6) 0.1586(6) 0.054(2) Uani 1 1 d . . . . .
H00T H 0.660209 0.634862 0.189733 0.065 Uiso 1 1 calc R . . . .
C00U C 0.8124(9) 0.5856(7) 0.0588(8) 0.064(3) Uani 1 1 d . . . . .
H00U H 0.751564 0.539663 0.078516 0.077 Uiso 1 1 calc R . . . .
C00V C 0.7602(7) 0.5642(6) 0.6461(6) 0.0486(19) Uani 1 1 d . . . . .
H00V H 0.771647 0.513175 0.708996 0.058 Uiso 1 1 calc R . . . .
C00W C 0.6996(7) 0.7545(6) 0.0980(6) 0.056(2) Uani 1 1 d . . . . .
H00W H 0.676779 0.830043 0.073197 0.067 Uiso 1 1 calc R . . . .
C00X C 0.7170(8) 0.2961(7) 0.2919(7) 0.062(2) Uani 1 1 d . . . . .
H00X H 0.809788 0.303697 0.301254 0.075 Uiso 1 1 calc R . . . .
C00Y C 0.8876(9) 0.7643(8) 0.0293(7) 0.066(2) Uani 1 1 d . . . . .
H00Y H 0.881337 0.843816 0.028561 0.080 Uiso 1 1 calc R . . . .
C00Z C 0.2880(8) 0.5184(6) 0.5627(7) 0.056(2) Uani 1 1 d . . . . .
H00Z H 0.384770 0.516564 0.606062 0.067 Uiso 1 1 calc R . . . .
C010 C 0.9817(10) 0.7137(9) -0.0061(8) 0.076(3) Uani 1 1 d . . . . .
H010 H 1.039908 0.758997 -0.029748 0.092 Uiso 1 1 calc R . . . .
C011 C 0.2030(10) 0.4783(7) 0.6147(8) 0.074(3) Uani 1 1 d . . . . .
H011 H 0.242048 0.448262 0.693081 0.089 Uiso 1 1 calc R . . . .
C012 C 0.9067(9) 0.5350(8) 0.0244(8) 0.079(3) Uani 1 1 d . . . . .
H012 H 0.912588 0.455500 0.022738 0.095 Uiso 1 1 calc R . . . .
C013 C 0.0617(11) 0.4814(8) 0.5537(10) 0.087(3) Uani 1 1 d . . . . .
H013 H 0.003678 0.454940 0.590209 0.104 Uiso 1 1 calc R . . . .
C014 C 0.0910(8) 0.5622(7) 0.3867(7) 0.068(2) Uani 1 1 d . . . . .
H014 H 0.051033 0.590042 0.307484 0.081 Uiso 1 1 calc R . . . .
C015 C 0.0070(9) 0.5227(8) 0.4409(10) 0.086(3) Uani 1 1 d . . . . .
H015 H -0.089934 0.524620 0.398384 0.103 Uiso 1 1 calc R . . . .
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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 '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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C00M O002 C009 118.2(5) . . ?
O003 N007 C00O 116.2(6) . . ?
O006 N007 O003 124.5(6) . . ?
O006 N007 C00O 119.3(6) . . ?
C00F C008 C00L 112.1(5) . . ?
C00F C008 C00O 119.4(5) . . ?
C00L C008 C00O 109.0(5) . . ?
O002 C009 C00A 111.7(5) . . ?
O002 C009 C00O 109.4(5) . . ?
C00A C009 C00O 113.0(5) . . ?
C00G C00A C009 120.1(6) . . ?
C00P C00A C009 122.3(6) . . ?
C00P C00A C00G 117.6(7) . . ?
O004 C00B C00C 122.2(7) . . ?
O004 C00B C00L 116.7(6) . . ?
C00C C00B C00L 121.0(7) . . ?
C00B C00C C00E 120.3(7) . . ?
C00K C00C C00B 117.9(7) . . ?
C00K C00C C00E 121.7(7) . . ?
C00H C00D C00E 121.6(6) . . ?
C00M C00D C00E 121.0(6) . . ?
C00M C00D C00H 117.4(6) . . ?
C00C C00E C00D 113.0(5) . . ?
C00C C00E C00O 113.9(5) . . ?
C00O C00E C00D 107.0(5) . . ?
C00Z C00F C008 119.2(6) . . ?
C00Z C00F C014 118.1(7) . . ?
C014 C00F C008 122.5(7) . . ?
C00I C00G C00A 121.1(7) . . ?
C00R C00H C00D 121.6(7) . . ?
C00Q C00I C00G 119.8(7) . . ?
C00U C00J C00W 122.0(9) . . ?
C00Y C00J C00U 116.2(10) . . ?
C00Y C00J C00W 121.5(8) . . ?
O005 C00K C00C 121.7(7) . . ?
O005 C00K C00T 115.0(7) . . ?
C00C C00K C00T 123.3(7) . . ?
C00B C00L C008 116.7(6) . . ?
C00D C00M O002 123.0(6) . . ?
C00D C00M C00V 122.1(6) . . ?
C00V C00M O002 114.8(6) . . ?
C00V C00N C00R 120.5(6) . . ?
N007 C00O C008 109.2(5) . . ?
N007 C00O C009 104.2(5) . . ?
C008 C00O C009 114.5(5) . . ?
C00E C00O N007 109.8(5) . . ?
C00E C00O C008 109.2(5) . . ?
C00E C00O C009 109.7(5) . . ?
C00A C00P C00X 121.4(7) . . ?
C00I C00Q Br01 119.6(6) . . ?
C00X C00Q Br01 119.6(6) . . ?
C00X C00Q C00I 120.8(7) . . ?
C00H C00R C00N 119.2(7) . . ?
C010 C00S C012 119.6(11) . . ?
C00W C00T C00K 124.6(7) . . ?
C012 C00U C00J 122.5(9) . . ?
C00N C00V C00M 119.1(7) . . ?
C00T C00W C00J 126.9(8) . . ?
C00Q C00X C00P 119.0(7) . . ?
C00J C00Y C010 121.3(9) . . ?
C011 C00Z C00F 120.7(8) . . ?
C00S C010 C00Y 121.1(10) . . ?
C00Z C011 C013 120.6(9) . . ?
C00U C012 C00S 119.1(9) . . ?
C015 C013 C011 119.2(9) . . ?
C015 C014 C00F 120.5(8) . . ?
C013 C015 C014 120.9(9) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Br01 C00Q 1.896(7) . ?
O002 C009 1.425(6) . ?
O002 C00M 1.390(7) . ?
O003 N007 1.225(7) . ?
O004 C00B 1.270(8) . ?
O005 C00K 1.312(8) . ?
O006 N007 1.217(7) . ?
N007 C00O 1.535(8) . ?
C008 C00F 1.521(9) . ?
C008 C00L 1.546(9) . ?
C008 C00O 1.557(8) . ?
C009 C00A 1.523(9) . ?
C009 C00O 1.566(8) . ?
C00A C00G 1.393(9) . ?
C00A C00P 1.389(9) . ?
C00B C00C 1.415(9) . ?
C00B C00L 1.497(10) . ?
C00C C00E 1.516(8) . ?
C00C C00K 1.396(9) . ?
C00D C00E 1.541(8) . ?
C00D C00H 1.390(9) . ?
C00D C00M 1.387(8) . ?
C00E C00O 1.526(8) . ?
C00F C00Z 1.386(9) . ?
C00F C014 1.394(9) . ?
C00G C00I 1.383(9) . ?
C00H C00R 1.388(9) . ?
C00I C00Q 1.374(10) . ?
C00J C00U 1.395(9) . ?
C00J C00W 1.448(11) . ?
C00J C00Y 1.375(11) . ?
C00K C00T 1.454(9) . ?
C00M C00V 1.390(8) . ?
C00N C00R 1.390(10) . ?
C00N C00V 1.375(10) . ?
C00P C00X 1.397(9) . ?
C00Q C00X 1.371(10) . ?
C00S C010 1.348(11) . ?
C00S C012 1.376(12) . ?
C00T C00W 1.331(9) . ?
C00U C012 1.372(11) . ?
C00Y C010 1.378(12) . ?
C00Z C011 1.383(10) . ?
C011 C013 1.383(11) . ?
C013 C015 1.359(12) . ?
C014 C015 1.391(10) . ?
