V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement
Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh; CrystEngComm 19 (2017) 419–; doi:10.1039/C6CE01738J

data_7226885
_publ_section_title
;
 V-shaped oxydiphthalimides: side-chain engineering regulates
 crystallisation-induced emission enhancement
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              419
_journal_paper_doi               10.1039/C6CE01738J
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C26 H24 N2 O5'
_chemical_formula_sum            'C26 H24 N2 O5'
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_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-09-21 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     4298.2(8)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
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_diffrn_reflns_limit_h_min       -53
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_diffrn_reflns_number            31730
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_meas      1.373
_exptl_crystal_density_method    NONE
_exptl_crystal_description       rectangular
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0661P)^2^+2.5897P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1484
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2422
_reflns_number_total             4228
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7226883--7226887.cif.'
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