Crystallography Open Database

Information card for entry 3000078

Preview

No preview available: structure is on hold until 2016-12-14

Coordinates	Coordinates are not available: structure is on hold until 2016-12-14

Structure parameters

Formula	C8 H8 O3
Authors of publication	Sritharan
Journal of publication	To be published in CrystEngComm
a	13.602 ± 0.0008 Å
b	16.9266 ± 0.001 Å
c	11.0355 ± 0.0011 Å
α	90°
β	120.19 ± 0.001°
γ	90°
Cell volume	2196.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.