Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena; Acta crystallographica Section B, Structural science, crystal engineering and materials 72 (2016) 160–163; doi:10.1107/S2052520615021022

data_2311687
_publ_section_title
;
 Structure-forming units of amino acid maleates. Case study of L-valinium
 hydrogen maleate.
;
_journal_coeditor_code           XK5024
_journal_issue                   'Pt 1'
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_page_first              160
_journal_page_last               163
_journal_paper_doi               10.1107/S2052520615021022
_journal_volume                  72
_journal_year                    2016
_chemical_formula_moiety         'C5 H12 N O2, C4 H3 O4'
_chemical_formula_sum            'C9 H15 N O6'
_chemical_formula_weight         233.22
_chemical_name_systematic        'L-valinium maleate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
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_cell_formula_units_Z            2
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_cell_length_b                   7.5974(11)
_cell_length_c                   12.9136(17)
_cell_measurement_temperature    298
_cell_volume                     566.16(14)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
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_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
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_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
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_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.116
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear light colourless'
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_refine_diff_density_min         -0.161
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0180P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_hkl_checksum              83973
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