#------------------------------------------------------------------------------
#$Date: 2020-07-04 05:00:23 +0300 (Sat, 04 Jul 2020) $
#$Revision: 253749 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/83/1558385.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_1558385
loop_
_publ_author_name
'Jena, Satyam'
'Dhanalakshmi, Pandi'
'Bano, Gulista'
'Thilagar, Pakkirisamy'
_publ_section_title
;
 Delayed Fluorescence, Room Temperature Phosphorescence, and
 Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and
 Hypoxia Live Cancer Cells.
;
_journal_issue                   26
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              5393
_journal_page_last               5406
_journal_paper_doi               10.1021/acs.jpcb.0c04115
_journal_volume                  124
_journal_year                    2020
_chemical_formula_sum            'C27 H20 N2 O2'
_chemical_formula_weight         404.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 115.706(11)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.102(11)
_cell_length_b                   8.210(3)
_cell_length_c                   19.944(8)
_cell_measurement_reflns_used    4911
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      3.0
_cell_volume                     4146(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2486
_diffrn_reflns_av_unetI/netI     0.1067
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            86394
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.005
_diffrn_reflns_theta_min         2.980
_exptl_absorpt_coefficient_mu    0.082
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_description       square
_exptl_crystal_F_000             1696
_refine_diff_density_max         0.199
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1938
_refine_ls_R_factor_gt           0.0848
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.2073
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2363
_reflns_number_total             4911
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jp0c04115_si_001.cif
_cod_data_source_block           Compound3a
_cod_depositor_comments
'Adding full bibliography for 1558383--1558387.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1558385
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
O2 O 0.40905(8) 0.2774(2) 0.65376(12) 0.0596(6) Uani 1 1 d . . . . .
O1 O 0.45995(8) 0.7584(2) 0.59318(13) 0.0713(7) Uani 1 1 d . . . . .
N1 N 0.63243(8) 0.0575(3) 0.67215(12) 0.0425(6) Uani 1 1 d . . . . .
N2 N 0.43331(8) 0.5190(3) 0.62316(12) 0.0433(6) Uani 1 1 d . . . . .
C4 C 0.68881(14) -0.1386(4) 0.53073(19) 0.0644(9) Uani 1 1 d . . . . .
H3 H 0.703098 -0.183756 0.500738 0.077 Uiso 1 1 calc R U . . .
C5 C 0.71313(12) -0.1656(3) 0.60611(18) 0.0527(8) Uani 1 1 d . . . . .
H4 H 0.743680 -0.228231 0.627203 0.063 Uiso 1 1 calc R U . . .
C6 C 0.69138(10) -0.0980(3) 0.65038(15) 0.0390(7) Uani 1 1 d . . . . .
C1 C 0.64619(10) -0.0005(3) 0.61696(15) 0.0395(7) Uani 1 1 d . . . . .
C13 C 0.58343(10) 0.1326(3) 0.65951(14) 0.0381(7) Uani 1 1 d . . . . .
C14 C 0.54720(10) 0.0460(3) 0.67348(15) 0.0434(7) Uani 1 1 d . . . . .
H9 H 0.554114 -0.062005 0.688737 0.052 Uiso 1 1 calc R U . . .
C15 C 0.49999(10) 0.1177(3) 0.66509(15) 0.0415(7) Uani 1 1 d . . . . .
H10 H 0.475426 0.056720 0.673993 0.050 Uiso 1 1 calc R U . . .
C16 C 0.48951(9) 0.2771(3) 0.64387(13) 0.0361(6) Uani 1 1 d . . . . .
C17 C 0.44104(10) 0.3536(3) 0.64073(15) 0.0406(7) Uani 1 1 d . . . . .
C25 C 0.38719(11) 0.6036(4) 0.62591(16) 0.0538(8) Uani 1 1 d . . . . .
H14 H 0.390465 0.718142 0.614763 0.065 Uiso 1 1 calc R U . . .
C26 C 0.33624(11) 0.5468(5) 0.56572(19) 0.0869(13) Uani 1 1 d . . . . .
H16 H 0.338268 0.549949 0.518912 0.130 Uiso 1 1 calc R U . . .
H15 H 0.308184 0.616529 0.563523 0.130 Uiso 1 1 calc R U . . .
H17 H 0.329412 0.437165 0.575922 0.130 Uiso 1 1 calc R U . . .
C9 C 0.74614(10) -0.1641(4) 0.85818(16) 0.0516(8) Uani 1 1 d . . . . .
H6 H 0.772061 -0.218062 0.898457 0.062 Uiso 1 1 calc R U . . .
C8 C 0.74397(10) -0.1831(3) 0.78871(16) 0.0484(8) Uani 1 1 d . . . . .
H5 H 0.768608 -0.248084 0.781874 0.058 Uiso 1 1 calc R U . . .
C7 C 0.70459(9) -0.1043(3) 0.72849(15) 0.0373(7) Uani 1 1 d . . . . .
C2 C 0.62109(12) 0.0254(4) 0.54077(16) 0.0524(8) Uani 1 1 d . . . . .
H1 H 0.590556 0.087971 0.519165 0.063 Uiso 1 1 calc R U . . .
C3 C 0.64326(13) -0.0451(4) 0.49851(18) 0.0623(9) Uani 1 1 d . . . . .
H2 H 0.627395 -0.029943 0.447225 0.075 Uiso 1 1 calc R U . . .
C12 C 0.66791(9) -0.0087(3) 0.74073(14) 0.0364(6) Uani 1 1 d . . . . .
C11 C 0.67020(10) 0.0138(3) 0.81038(15) 0.0453(7) Uani 1 1 d . . . . .
H8 H 0.645891 0.079451 0.817687 0.054 Uiso 1 1 calc R U . . .
C10 C 0.71017(11) -0.0653(4) 0.86919(16) 0.0493(8) Uani 1 1 d . . . . .
H7 H 0.712933 -0.051884 0.917049 0.059 Uiso 1 1 calc R U . . .
C27 C 0.39003(15) 0.6023(5) 0.70250(19) 0.0976(14) Uani 1 1 d . . . . .
H20 H 0.384041 0.493706 0.714961 0.146 Uiso 1 1 calc R U . . .
H18 H 0.363543 0.673831 0.704192 0.146 Uiso 1 1 calc R U . . .
H19 H 0.424321 0.638631 0.737531 0.146 Uiso 1 1 calc R U . . .
C18 C 0.46793(11) 0.6127(4) 0.60578(15) 0.0469(7) Uani 1 1 d . . . . .
C19 C 0.51447(10) 0.5327(3) 0.60533(14) 0.0400(7) Uani 1 1 d . . . . .
C20 C 0.54893(11) 0.6202(4) 0.58771(16) 0.0508(8) Uani 1 1 d . . . . .
H11 H 0.541117 0.727768 0.572164 0.061 Uiso 1 1 calc R U . . .
C21 C 0.59552(12) 0.5505(4) 0.59274(17) 0.0566(8) Uani 1 1 d . . . . .
H12 H 0.618387 0.611290 0.580158 0.068 Uiso 1 1 calc R U . . .
C22 C 0.60781(11) 0.3930(4) 0.61609(16) 0.0492(8) Uani 1 1 d . . . . .
H13 H 0.639494 0.348774 0.620470 0.059 Uiso 1 1 calc R U . . .
C23 C 0.57316(9) 0.2960(3) 0.63373(14) 0.0383(7) Uani 1 1 d . . . . .
C24 C 0.52550(9) 0.3681(3) 0.62710(13) 0.0343(6) Uani 1 1 d . . . . .
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'
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
C1 N1 C12 108.2(2) . . ?
C1 N1 C13 125.6(2) . . ?
C12 N1 C13 124.1(2) . . ?
C17 N2 C18 123.3(2) . . ?
C17 N2 C25 119.1(2) . . ?
C18 N2 C25 117.6(2) . . ?
C5 C4 C3 121.2(3) . . ?
C5 C4 H3 119.4 . . ?
C3 C4 H3 119.4 . . ?
C4 C5 C6 119.0(3) . . ?
C4 C5 H4 120.5 . . ?
C6 C5 H4 120.5 . . ?
C5 C6 C1 118.9(3) . . ?
C5 C6 C7 134.1(3) . . ?
C1 C6 C7 106.9(2) . . ?
C2 C1 N1 128.9(2) . . ?
C2 C1 C6 122.3(3) . . ?
N1 C1 C6 108.8(2) . . ?
C14 C13 C23 120.9(2) . . ?
C14 C13 N1 119.1(2) . . ?
C23 C13 N1 120.0(2) . . ?
C13 C14 C15 120.7(3) . . ?
C13 C14 H9 119.7 . . ?
C15 C14 H9 119.7 . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H10 119.8 . . ?
C14 C15 H10 119.8 . . ?
C15 C16 C24 120.0(2) . . ?
C15 C16 C17 119.4(2) . . ?
C24 C16 C17 120.5(2) . . ?
O2 C17 N2 120.5(2) . . ?
O2 C17 C16 121.8(3) . . ?
N2 C17 C16 117.7(2) . . ?
C26 C25 N2 111.8(2) . . ?
C26 C25 C27 115.3(3) . . ?
N2 C25 C27 111.9(2) . . ?
C26 C25 H14 105.7 . . ?
N2 C25 H14 105.6 . . ?
C27 C25 H14 105.6 . . ?
C25 C26 H16 109.5 . . ?
C25 C26 H15 109.5 . . ?
H16 C26 H15 109.5 . . ?
C25 C26 H17 109.5 . . ?
H16 C26 H17 109.5 . . ?
H15 C26 H17 109.5 . . ?
C8 C9 C10 120.8(3) . . ?
C8 C9 H6 119.6 . . ?
C10 C9 H6 119.6 . . ?
C9 C8 C7 119.4(3) . . ?
C9 C8 H5 120.3 . . ?
C7 C8 H5 120.3 . . ?
C8 C7 C12 118.8(2) . . ?
C8 C7 C6 133.5(2) . . ?
C12 C7 C6 107.8(2) . . ?
C3 C2 C1 117.2(3) . . ?
C3 C2 H1 121.4 . . ?
C1 C2 H1 121.4 . . ?
C2 C3 C4 121.4(3) . . ?
C2 C3 H2 119.3 . . ?
C4 C3 H2 119.3 . . ?
C11 C12 C7 122.4(2) . . ?
C11 C12 N1 129.3(2) . . ?
C7 C12 N1 108.2(2) . . ?
C12 C11 C10 117.3(2) . . ?
C12 C11 H8 121.4 . . ?
C10 C11 H8 121.4 . . ?
C11 C10 C9 121.3(3) . . ?
C11 C10 H7 119.3 . . ?
C9 C10 H7 119.3 . . ?
C25 C27 H20 109.5 . . ?
C25 C27 H18 109.5 . . ?
H20 C27 H18 109.5 . . ?
C25 C27 H19 109.5 . . ?
H20 C27 H19 109.5 . . ?
H18 C27 H19 109.5 . . ?
O1 C18 N2 120.3(3) . . ?
O1 C18 C19 121.4(3) . . ?
N2 C18 C19 118.3(2) . . ?
C20 C19 C24 119.8(2) . . ?
C20 C19 C18 119.9(3) . . ?
C24 C19 C18 120.3(2) . . ?
C19 C20 C21 120.9(3) . . ?
C19 C20 H11 119.6 . . ?
C21 C20 H11 119.6 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H12 119.9 . . ?
C20 C21 H12 119.9 . . ?
C21 C22 C23 121.2(3) . . ?
C21 C22 H13 119.4 . . ?
C23 C22 H13 119.4 . . ?
C22 C23 C24 117.8(2) . . ?
C22 C23 C13 124.6(2) . . ?
C24 C23 C13 117.6(2) . . ?
C16 C24 C19 119.7(2) . . ?
C16 C24 C23 120.2(2) . . ?
C19 C24 C23 120.1(2) . . ?
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
O2 C17 1.212(3) . ?
O1 C18 1.223(3) . ?
N1 C1 1.399(3) . ?
N1 C12 1.406(3) . ?
N1 C13 1.428(3) . ?
N2 C17 1.396(3) . ?
N2 C18 1.396(3) . ?
N2 C25 1.492(3) . ?
C4 C5 1.373(4) . ?
C4 C3 1.388(4) . ?
C4 H3 0.9300 . ?
C5 C6 1.389(4) . ?
C5 H4 0.9300 . ?
C6 C1 1.401(3) . ?
C6 C7 1.437(4) . ?
C1 C2 1.386(4) . ?
C13 C14 1.366(3) . ?
C13 C23 1.420(3) . ?
C14 C15 1.394(3) . ?
C14 H9 0.9300 . ?
C15 C16 1.367(4) . ?
C15 H10 0.9300 . ?
C16 C24 1.410(3) . ?
C16 C17 1.477(3) . ?
C25 C26 1.489(4) . ?
C25 C27 1.495(4) . ?
C25 H14 0.9800 . ?
C26 H16 0.9600 . ?
C26 H15 0.9600 . ?
C26 H17 0.9600 . ?
C9 C8 1.369(4) . ?
C9 C10 1.386(4) . ?
C9 H6 0.9300 . ?
C8 C7 1.390(4) . ?
C8 H5 0.9300 . ?
C7 C12 1.399(3) . ?
C2 C3 1.375(4) . ?
C2 H1 0.9300 . ?
C3 H2 0.9300 . ?
C12 C11 1.375(4) . ?
C11 C10 1.384(4) . ?
C11 H8 0.9300 . ?
C10 H7 0.9300 . ?
C27 H20 0.9600 . ?
C27 H18 0.9600 . ?
C27 H19 0.9600 . ?
C18 C19 1.467(4) . ?
C19 C20 1.369(4) . ?
C19 C24 1.412(3) . ?
C20 C21 1.392(4) . ?
C20 H11 0.9300 . ?
C21 C22 1.367(4) . ?
C21 H12 0.9300 . ?
C22 C23 1.415(3) . ?
C22 H13 0.9300 . ?
C23 C24 1.417(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C4 C5 C6 0.2(5) . . . . ?
C4 C5 C6 C1 -1.8(4) . . . . ?
C4 C5 C6 C7 177.7(3) . . . . ?
C12 N1 C1 C2 176.6(3) . . . . ?
C13 N1 C1 C2 12.3(4) . . . . ?
C12 N1 C1 C6 -2.2(3) . . . . ?
C13 N1 C1 C6 -166.6(2) . . . . ?
C5 C6 C1 C2 2.7(4) . . . . ?
C7 C6 C1 C2 -176.9(2) . . . . ?
C5 C6 C1 N1 -178.3(2) . . . . ?
C7 C6 C1 N1 2.0(3) . . . . ?
C1 N1 C13 C14 105.1(3) . . . . ?
C12 N1 C13 C14 -56.9(4) . . . . ?
C1 N1 C13 C23 -75.7(3) . . . . ?
C12 N1 C13 C23 122.3(3) . . . . ?
C23 C13 C14 C15 -2.1(4) . . . . ?
N1 C13 C14 C15 177.0(2) . . . . ?
C13 C14 C15 C16 -1.1(4) . . . . ?
C14 C15 C16 C24 2.8(4) . . . . ?
C14 C15 C16 C17 -175.5(2) . . . . ?
C18 N2 C17 O2 -178.3(2) . . . . ?
C25 N2 C17 O2 4.3(4) . . . . ?
C18 N2 C17 C16 2.6(4) . . . . ?
C25 N2 C17 C16 -174.8(2) . . . . ?
C15 C16 C17 O2 -2.8(4) . . . . ?
C24 C16 C17 O2 178.8(2) . . . . ?
C15 C16 C17 N2 176.2(2) . . . . ?
C24 C16 C17 N2 -2.1(4) . . . . ?
C17 N2 C25 C26 -68.9(3) . . . . ?
C18 N2 C25 C26 113.7(3) . . . . ?
C17 N2 C25 C27 62.2(4) . . . . ?
C18 N2 C25 C27 -115.3(3) . . . . ?
C10 C9 C8 C7 -1.1(4) . . . . ?
C9 C8 C7 C12 -0.6(4) . . . . ?
C9 C8 C7 C6 179.9(3) . . . . ?
C5 C6 C7 C8 -1.0(5) . . . . ?
C1 C6 C7 C8 178.5(3) . . . . ?
C5 C6 C7 C12 179.4(3) . . . . ?
C1 C6 C7 C12 -1.1(3) . . . . ?
N1 C1 C2 C3 179.5(3) . . . . ?
C6 C1 C2 C3 -1.8(4) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
C5 C4 C3 C2 0.8(5) . . . . ?
C8 C7 C12 C11 1.8(4) . . . . ?
C6 C7 C12 C11 -178.6(2) . . . . ?
C8 C7 C12 N1 -179.9(2) . . . . ?
C6 C7 C12 N1 -0.3(3) . . . . ?
C1 N1 C12 C11 179.7(3) . . . . ?
C13 N1 C12 C11 -15.7(4) . . . . ?
C1 N1 C12 C7 1.6(3) . . . . ?
C13 N1 C12 C7 166.2(2) . . . . ?
C7 C12 C11 C10 -1.2(4) . . . . ?
N1 C12 C11 C10 -179.1(2) . . . . ?
C12 C11 C10 C9 -0.5(4) . . . . ?
C8 C9 C10 C11 1.7(4) . . . . ?
C17 N2 C18 O1 -177.6(3) . . . . ?
C25 N2 C18 O1 -0.3(4) . . . . ?
C17 N2 C18 C19 0.6(4) . . . . ?
C25 N2 C18 C19 177.9(2) . . . . ?
O1 C18 C19 C20 -2.6(4) . . . . ?
N2 C18 C19 C20 179.2(2) . . . . ?
O1 C18 C19 C24 173.8(3) . . . . ?
N2 C18 C19 C24 -4.4(4) . . . . ?
C24 C19 C20 C21 -1.6(4) . . . . ?
C18 C19 C20 C21 174.8(3) . . . . ?
C19 C20 C21 C22 -0.6(4) . . . . ?
C20 C21 C22 C23 1.7(4) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
C21 C22 C23 C13 -178.9(3) . . . . ?
C14 C13 C23 C22 -178.3(3) . . . . ?
N1 C13 C23 C22 2.6(4) . . . . ?
C14 C13 C23 C24 3.4(4) . . . . ?
N1 C13 C23 C24 -175.7(2) . . . . ?
C15 C16 C24 C19 -179.9(2) . . . . ?
C17 C16 C24 C19 -1.6(4) . . . . ?
C15 C16 C24 C23 -1.4(4) . . . . ?
C17 C16 C24 C23 176.9(2) . . . . ?
C20 C19 C24 C16 -178.8(2) . . . . ?
C18 C19 C24 C16 4.8(4) . . . . ?
C20 C19 C24 C23 2.7(4) . . . . ?
C18 C19 C24 C23 -173.7(2) . . . . ?
C22 C23 C24 C16 179.9(2) . . . . ?
C13 C23 C24 C16 -1.7(4) . . . . ?
C22 C23 C24 C19 -1.6(4) . . . . ?
C13 C23 C24 C19 176.8(2) . . . . ?
