A Short and Efficient Route to Novel Scyphostatin Analogues
Runcie, Karen A.; Taylor, Richard J. K.; Organic Letters 3 (2001) 3237–; doi:10.1021/ol0164132

data_1507527
_publ_contact_author             'Professor R.J.K. Taylor'
_publ_section_title
;
 A Short and Efficient Route to Novel Scyphostatin Analogues
;
_journal_issue                   21
_journal_name_full               'Organic Letters'
_journal_page_first              3237
_journal_paper_doi               10.1021/ol0164132
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'C11 H15 Br O4'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 118.02(3)
_cell_angle_gamma                90.00
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_cell_length_b                   8.7123(4)
_cell_length_c                   12.566(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      10.625
_cell_measurement_theta_min      8.52
_cell_volume                     1212.0(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC,1992-1997)'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Rigaku-AFC6S
_diffrn_measurement_method       \w--2\q
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_diffrn_reflns_av_R_equivalents  0.0000
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_diffrn_standards_interval_count 150
_diffrn_standards_number         3
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_exptl_absorpt_correction_T_min  0.7967
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_exptl_absorpt_process_details   psi-scans
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             592
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_refine_diff_density_max         0.322
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2131
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_refine_ls_R_factor_all          0.0541
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0363P)^2^+0.4038P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           rjkt0112
_cod_original_cell_volume        1212.1(4)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1507527