Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.
Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi; Acta crystallographica. Section C, Structural chemistry 78 (2022) 743–748; doi:10.1107/S2053229622010828

data_2312084
_publ_section_title
;
 Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a
 time-of-flight neutron diffraction study.
;
_journal_coeditor_code           WV3010
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              743
_journal_page_last               748
_journal_paper_doi               10.1107/S2053229622010828
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C18 H32 O16, 4H2 O'
_chemical_formula_moiety         'C18 H32 O16, 4(H2 O)'
_chemical_formula_sum            'C18 H40 O20'
_chemical_formula_weight         576.5
_chemical_name_common            'Raffinose tetrahydrate'
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_space_group_name_H-M_alt        'P 21 21 21'
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'wavelength-shifting-fibre-based scintillator neutron detector'
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'time-of-flight Laue-type single crystal neutron diffractometer'
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_diffrn_reflns_theta_max         82.1
_diffrn_reflns_theta_min         7.8
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0749
_refine_ls_shift/su_max          0.0449
_refine_ls_shift/su_mean         0.0058
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0679
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_reflns_threshold_expression     I>4\s(I)
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_cod_database_code               2312084
_cod_database_fobs_code 2312084