Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.
Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.; Organic & biomolecular chemistry 2 (2004) 542–553; doi:10.1039/b311322a

data_7150320
_publ_section_title
;
 Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.
;
_journal_issue                   4
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              542
_journal_page_last               553
_journal_paper_doi               10.1039/b311322a
_journal_volume                  2
_journal_year                    2004
_chemical_formula_moiety         'C23 H25 N O4, C H Cl3'
_chemical_formula_sum            'C24 H26 Cl3 N O4'
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_cell_formula_units_Z            4
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_cell_length_b                   18.223(5)
_cell_length_c                   11.601(2)
_cell_measurement_reflns_used    820
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.7
_cell_measurement_theta_min      2.9
_cell_volume                     2559.0(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12277
_diffrn_reflns_theta_full        24.01
_diffrn_reflns_theta_max         24.01
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.387
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    none
_exptl_crystal_description       block
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_refine_ls_number_reflns         4000
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1057P)^2^+4.7009P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1946
_refine_ls_wR_factor_ref         0.2173
_reflns_number_gt                2905
_reflns_number_total             4000
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b311322a.txt
_cod_data_source_block           laa2a
_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        2558.9(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7150320