Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)
Zeller, Matthias; Parent, Stephan; Schultheiss, Nate; Acta Crystallographica Section E Crystallographic Communications 80 (2024) –; doi:10.1107/S2056989024004201

data_2023125
_publ_section_title
;
 Structural characterization and comparative analysis of polymorphic forms
 of psilocin (4-hydroxy-N,N-dimethyltryptamine)
;
_journal_coeditor_code           HB8096
_journal_issue                   6
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989024004201
_journal_volume                  80
_journal_year                    2024
_chemical_formula_moiety         'C12 H16 N2 O'
_chemical_formula_sum            'C12 H16 N2 O'
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_space_group_name_Hall           '-P 2ybc'
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_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 92.5663(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4041(4)
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_cell_length_c                   12.4087(4)
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;
SAINT V8.40B (Bruker, 2020)
;
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;
Apex4 v2022.10-0 (Bruker, 2022)
;
_computing_data_reduction
;
SAINT V8.40B (Bruker, 2020)
;
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;
<i>SHELXL2019/2</i> (Sheldrick, 2015b),
<i>ShelXle</i> Rev1580 (H\"ubschle <i>et al.</i>,  2011)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
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_diffrn_measurement_device       'three circle diffractometer'
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_min         2.899
_diffrn_source                   'fine focus sealed tube X-ray source'
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;
(SADABS 2016/2; Krause <i>et al.</i>,  2015)
;
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'w=1/[\s^2^(Fo^2^)+(0.0713P)^2^+0.1621P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_hkl_checksum              63392
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