The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying; Organic & biomolecular chemistry 9 (2011) 2166–2174; doi:10.1039/c0ob00746c

data_7151741
_publ_section_title
;
 The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with
 phthalaldehydes and dimethyl acetylenedicarboxylate: a facile
 construction of benzo[d]furo[3,2-b]azepines.
;
_journal_issue                   7
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2166
_journal_page_last               2174
_journal_paper_doi               10.1039/c0ob00746c
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C24 H23 Br N2 O6'
_chemical_formula_sum            'C24 H23 Br N2 O6'
_chemical_formula_weight         515.35
_chemical_name_common
;
(5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)-
5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate
;
_chemical_name_systematic
;
(5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-
(2-pyridyl)-5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate
;
_space_group_IT_number           2
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_cell_angle_alpha                65.855(3)
_cell_angle_beta                 88.718(4)
_cell_angle_gamma                84.251(4)
_cell_formula_units_Z            2
_cell_length_a                   7.9953(17)
_cell_length_b                   12.083(3)
_cell_length_c                   13.275(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.01
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_cell_volume                     1164.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_theta_max         25.25
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_exptl_absorpt_correction_T_max  0.7732
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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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^)+(0.0343P)^2^+0.5980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c0ob00746c.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1164.2(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7151741