Crystallography Open Database

Information card for entry 5900035

Preview

Coordinates	5900035.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Acetylene dicarboxylic acid dihydrate
Formula	C4 H6 O6
Calculated formula	C4 O6
Title of publication	The crystal and molecular structure of certain dicarboxylic acids. Part II. Acetylenedicarboxylic acid dihydrate
Authors of publication	Dunitz, J. D.; Robertson, J. Monteath
Journal of publication	Journal of the Chemical Society
Year of publication	1947
Pages of publication	148 - 154
a	11.05 ± 0.03 Å
b	3.86 ± 0.01 Å
c	7.98 ± 0.02 Å
α	90°
β	98 ± 0.3°
γ	90°
Cell volume	337.06 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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