On the stacking disorder of <small>DL</small>-norleucine
Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.; Acta Crystallographica Section B 73 (2017) 1075–1084; doi:10.1107/S2052520617012057

data_2108193
_publ_section_title
;
 On the stacking disorder of <small>DL</small>-norleucine
;
_journal_coeditor_code           FX5009
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1075
_journal_page_last               1084
_journal_paper_doi               10.1107/S2052520617012057
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C6 H13 N O2'
_chemical_formula_sum            'C6 H13 N O2'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
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_diffrn_reflns_av_unetI/netI     0.0212
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_diffrn_reflns_theta_min         2.610
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
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_exptl_absorpt_correction_T_min  0.370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe & Cie, 2001)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0743P)^2^+0.9606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1172
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1326
_reflns_number_total             1451
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            fx5009sup1.cif
_cod_data_source_block           I
_cod_database_code               2108193
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.992
_shelx_res_checksum              31362
_shelx_hkl_checksum              38280
_cod_database_fobs_code 2108193