Crystallography Open Database

Information card for entry 3000077

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	13.5871 ± 0.0006 Å
b	16.9298 ± 0.0007 Å
c	11.026 ± 0.0005 Å
α	90°
β	120.125 ± 0.001°
γ	90°
Cell volume	2193.71 ± 0.17 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	0.0395
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.