Crystallography Open Database

Information card for entry 2005557

2005556 << 2005557 >> 2005558

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C10 H6 O3
Calculated formula	C10 H6 O3
SMILES	O=C1C(=CC(=O)c2ccccc12)O
Title of publication	2-Hydroxy-1,4-naphthoquinone
Authors of publication	Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2896 - 2899
a	7.1195 ± 0.0006 Å
b	9.5287 ± 0.0008 Å
c	12.3059 ± 0.0008 Å
α	82.08 ± 0.007°
β	75.48 ± 0.006°
γ	76.48 ± 0.007°
Cell volume	782.98 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections	0.1258
Weighted residual factors for significantly intense reflections	0.1258
Goodness-of-fit parameter for all reflections	1.072
Goodness-of-fit parameter for significantly intense reflections	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.