A Naphthalene-Fused Tricyclic Orthoamide
Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.; Acta Crystallographica Section C 51 (1995) 1345–1347; doi:10.1107/S010827019401471X

data_2003662
_publ_section_title
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 A Naphthalene-Fused Tricyclic Orthoamide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1345
_journal_page_last               1347
_journal_paper_doi               10.1107/S010827019401471X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'recrystallization from methanol'
_chemical_formula_moiety         'C17 H19 N3'
_chemical_formula_sum            'C17 H19 N3'
_chemical_formula_weight         265.34
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_type_scat_source           'IntTabIV; Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 136.53(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.166(1)
_cell_length_b                   8.588(1)
_cell_length_c                   18.382(1)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      7.6
_cell_volume                     2733(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2664
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        insignificant
_diffrn_standards_interval_count 150
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.13
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.5
_refine_diff_density_min         -0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.12
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     361
_refine_ls_number_reflns         1901
_refine_ls_R_factor_obs          0.032
_refine_ls_shift/esd_max         0.9
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'weights: empirical parabolic, w = 1/(0.62-0.024F+0.008F^2^)^1/2^'
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          1901
_reflns_number_total             2205
_reflns_observed_criterion       >3\s(F)
_cod_data_source_file            ha1136.cif
_cod_data_source_block           ha1136a
_cod_depositor_comments
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The following automatic conversions were performed:

'_cell_measurement_temperature' value '296+-1' was changed to
'296.0(10)' - precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '296+-1' was changed to
'296.0(10)' - precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2733.2
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2003662