Monitoring structural transformations in crystals. 11. Yang photocyclizations – one type of reaction, but diversity of structural changes
Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.; Acta Crystallographica Section B 63 (2007) 933–940; doi:10.1107/S0108768107051336

data_2102968
_publ_section_title
;
 Monitoring structural transformations in crystals. 11. Yang
 photocyclizations -- one type of reaction, but diversity of structural
 changes
;
_journal_coeditor_code           BK5065
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              933
_journal_page_last               940
_journal_paper_doi               10.1107/S0108768107051336
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'C24 H31 N O3'
_chemical_formula_weight         381.50
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   11.849(3)
_cell_length_c                   26.976(6)
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_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      3
_cell_volume                     2155.9(9)
_computing_cell_refinement       'CRYSALIS (Oxford Diffraction, 2003)'
_computing_data_collection       'CRYSALIS (Oxford Diffraction, 2003)'
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_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SXELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Kuma KM4CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
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_refine_ls_abs_structure_details
;
 The absolute structure was assigned on the basis of known
 absolute configuration of the cation.
;
_refine_ls_extinction_coef       0.025(5)
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'calc w=1/[\s^2^(Fo^2^)+(0.1210P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_database_code               2102968