Crystallography Open Database

Information card for entry 2242287

Preview

Coordinates	2242287.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate
Formula	C9 H15 K O3
Calculated formula	C9 H15 K O3
Title of publication	Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate
Authors of publication	Corfield, Peter W. R.; Kershaw, Richard A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	9
Pages of publication	1357 - 1362
a	16.148 ± 0.013 Å
b	8.631 ± 0.009 Å
c	7.674 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	1070 ± 2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199898 (current)	2017-08-23	cif/ hkl/ Adding structures of 2242287, 2242288 via cif-deposit CGI script.	2242287.cif