3-(1-Adamantylamino)-3-methyl-1-phenylquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione
Mahmoodi, Niusha; Nečas, Marek; Vícha, Robert; Acta Crystallographica Section E 65 (2009) o1866–; doi:10.1107/S1600536809026464

data_2222833
_publ_section_title
3-(1-Adamantylamino)-3-methyl-1-phenylquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione
_journal_coeditor_code           PK2176
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1866
_journal_paper_doi               10.1107/S1600536809026464
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C26 H28 N2 O2'
_chemical_formula_moiety         'C26 H28 N2 O2'
_chemical_formula_sum            'C26 H28 N2 O2'
_chemical_formula_weight         400.50
_chemical_melting_point_gt       451
_chemical_melting_point_lt       449
_chemical_name_systematic
3-(1-Adamantylamino)-3-methyl-1-phenylquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_cell_angle_beta                 113.111(5)
_cell_angle_gamma                90.00
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_cell_length_b                   24.1041(11)
_cell_length_c                   9.3805(5)
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.79
_cell_volume                     2073.68(18)
_computing_cell_refinement       'Xcalibur (Oxford Diffraction, 2006)'
_computing_data_collection       'Xcalibur (Oxford Diffraction, 2006)'
_computing_data_reduction        'Xcalibur (Oxford Diffraction, 2006)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and Mercury (Macrae <i>et al.</i>,  2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 0.06
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Kuma KM-4 CCD'
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0645P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        2073.68(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222833
_cod_database_fobs_code          2222833