Cascade cyclization to produce a series of fused, aromatic molecules.
Behof, William J.; Wang, Dongchuan; Niu, Weijun; Gorman, Christopher B.; Organic letters 12 (2010) 2146–2148; doi:10.1021/ol100656d

data_1502965
_publ_section_title
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 Cascade cyclization to produce a series of fused, aromatic molecules.
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_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              2146
_journal_page_last               2148
_journal_paper_doi               10.1021/ol100656d
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C20 H19 N3'
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_cell_angle_beta                 110.006(3)
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_cell_length_b                   11.8189(6)
_cell_length_c                   13.4426(7)
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_cell_volume                     1546.43(15)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    SIR92
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_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker-Nonius X8 Kappa Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0639
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.9877
_exptl_absorpt_correction_T_min  0.9770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
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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
'calc w=1/[\s^2^(Fo^2^)+(0.0532P)^2^+0.2568P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1236
_reflns_number_gt                4755
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_cod_data_source_file            ol100656d_si_001.cif
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_cod_database_code               1502965