Crystallography Open Database

Information card for entry 7101968

7101967 << 7101968 >> 7101969

Preview

Coordinates	7101968.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HOTMK-biscyclohexanone
Formula	C31 H40 O5
Calculated formula	C31 H40 O5
Title of publication	Hydrogen-bond quenching of photodecarbonylation in the solid state and recovery of reactivity by co-crystallization
Authors of publication	Zhang, Jing; Gembicky, Milan; Messerschmidt, Marc; Coppens, Philip
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	23
Pages of publication	2399 - 2401
a	7.7459 ± 0.0001 Å
b	11.0192 ± 0.0002 Å
c	16.6519 ± 0.0003 Å
α	109.259 ± 0.001°
β	92.645 ± 0.001°
γ	90.754 ± 0.001°
Cell volume	1339.72 ± 0.04 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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 all reflections	0.0527
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101968.html