Crystallography Open Database

Information card for entry 5910013

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Structure parameters

Formula	C D4 O
Calculated formula	C D4 O
Title of publication	Structure of the α-phase of solid methanol
Authors of publication	Torrie, B. H.; Weng, S.-X.; Powell, B. M.
Journal of publication	Molecular Physics
Year of publication	1989
Journal volume	67
Journal issue	3
Pages of publication	575 - 581
a	4.8728 ± 0.0002 Å
b	4.6411 ± 0.0002 Å
c	8.8671 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	200.531 ± 0.015 Å³
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301844 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 5/ Each referenced PubChem compound corresponds to the full crystal structure.	5910013.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	5910013.cif
175303	2016-01-30	cif/5/91/00/ (antanas@kurmis) Adding missing comment header for entry 5910013.	5910013.cif
175302	2016-01-30	cif/5/91/ (antanas@kurmis) Updating bibliography for entry 5910013.	5910013.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	5910013.cif
1090	2010-04-14	cif/5/ Adding new files uploaded by Girish Upreti, mostly historic inorganic structures from Wyckoff, R. W. G. books (keyed in manually?).	5910013.cif