Stereochemical control of skeletal diversity.
Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.; Organic letters 5 (2003) 4125–4127; doi:10.1021/ol035773h

data_1507402
_publ_section_title
;
 Stereochemical control of skeletal diversity.
;
_journal_issue                   22
_journal_name_full               'Organic letters'
_journal_page_first              4125
_journal_page_last               4127
_journal_paper_doi               10.1021/ol035773h
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C41 H45 N3 O7'
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.260(1)
_cell_length_b                   16.714(3)
_cell_length_c                   26.608(6)
_cell_measurement_reflns_used    78
_cell_measurement_temperature    213(2)
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_cell_measurement_theta_min      2.56
_cell_volume                     3673.4(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
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_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0549P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4356
_reflns_number_total             7916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol035773hsi20030913_024728.cif
_cod_data_source_block           sls32_Compound_6
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3674(1)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               1507402