Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.
Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko; Organic letters 10 (2008) 1199–1202; doi:10.1021/ol703110g

data_1504563
_publ_section_title
;
 Synthesis, structures, and properties of unsymmetrical heteroacenes
 containing both pyrrole and furan rings.
;
_journal_issue                   6
_journal_name_full               'Organic letters'
_journal_page_first              1199
_journal_page_last               1202
_journal_paper_doi               10.1021/ol703110g
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C34 H35 N O2'
_chemical_formula_weight         489.63
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                73.716(20)
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_cell_length_b                   9.716(5)
_cell_length_c                   19.358(10)
_cell_measurement_reflns_used    3700
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_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_molecular_graphics    ORTEP-III
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
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_diffrn_measured_fraction_theta_full 0.976
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_diffrn_measurement_device_type  'RIGAKU/MSC Meacury CCD'
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_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            Colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.1410P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3411
_reflns_number_total             4502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol703110g-file005.cif
_cod_data_source_block           4-C10H21O-C6H4-bfc
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1313.2(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1504563