An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.
Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.; Organic letters 11 (2009) 1685–1687; doi:10.1021/ol900186y

data_1503820
_publ_section_title
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 An unusual pathway to cyclobutane formation via desulfurative
 intramolecular photocycloaddition of an enone benzothiazoline pair.
;
_journal_issue                   8
_journal_name_full               'Organic letters'
_journal_page_first              1685
_journal_page_last               1687
_journal_paper_doi               10.1021/ol900186y
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C16 H17 N O2'
_chemical_formula_weight         255.31
_space_group_IT_number           4
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_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
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_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5546(18)
_cell_length_b                   7.0091(12)
_cell_length_c                   10.142(2)
_cell_measurement_temperature    143(1)
_cell_volume                     631.5(2)
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalClear (Rigaku, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Rigaku Mercury'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8941
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             272
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.20
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.2(12)
_refine_ls_extinction_method     none
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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^)+(0.0465P)^2^+0.1032P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                1889
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol900186y_si_001.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
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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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_original_sg_symbol_H-M      'P 21     '
_cod_database_code               1503820