Crystallography Open Database

Information card for entry 2101803

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Coordinates	2101803.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H4 N2 O2
Calculated formula	C6 H4 N2 O2
SMILES	N#CC(=C1OCCO1)C#N
Title of publication	The perils of <i>Cc</i> revisited
Authors of publication	Marsh, R. E.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	2
Pages of publication	317 - 322
a	15.044 ± 0.001 Å
b	32.288 Å
c	5.288 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2568.6 ± 0.5 Å³
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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