Crystallography Open Database

Information card for entry 2100785

Preview

Coordinates	2100785.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H8 O4
Calculated formula	C12 H8 O4
SMILES	OC(=O)c1c(ccc2c1cccc2)C(=O)O
Title of publication	1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase
Authors of publication	Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	3
Pages of publication	290 - 297
a	22.086 ± 0.003 Å
b	22.086 ± 0.003 Å
c	9.463 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4616 ± 2 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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