A new class of spirocyclic photochromes reacting with light of both UV and visible ranges
Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir; New J. Chem. 40 (2016) 6554–; doi:10.1039/C6NJ00666C

data_7055602
_publ_section_title
;
 A new class of spirocyclic photochromes reacting with light of both UV
 and visible ranges
;
_journal_issue                   8
_journal_name_full               'New J. Chem.'
_journal_page_first              6554
_journal_paper_doi               10.1039/C6NJ00666C
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C31 H25 N O3'
_chemical_formula_weight         459.52
_chemical_name_systematic
'3-(4-(Diethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-11-10 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;
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_cell_length_c                   16.6477(6)
_cell_measurement_temperature    293(2)
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_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.954
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_max         70.889
_diffrn_reflns_theta_min         4.406
_exptl_absorpt_coefficient_mu    0.648
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_F_000             968
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.170
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4426
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0840
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_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/[\s^2^(Fo^2^)+(0.0924P)^2^+0.6023P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6nj00666c2.cif
_cod_data_source_block           lb3_39
_cod_depositor_comments
'Adding full bibliography for 7055601--7055603.cif.'
_cod_original_cell_volume        2400.34(15)
_cod_database_code               7055602
_shelxl_version_number           2014/6
_shelx_res_checksum              83992