Crystallography Open Database

Information card for entry 7225198

Preview

Coordinates	7225198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H28 O6
Calculated formula	C27.5 H28 O6
Title of publication	Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization
Authors of publication	Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	25
Pages of publication	4708
a	9.9527 ± 0.0005 Å
b	10.3401 ± 0.0005 Å
c	12.2625 ± 0.0006 Å
α	82.421 ± 0.0008°
β	83.5482 ± 0.0009°
γ	82.2157 ± 0.0009°
Cell volume	1233.65 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0746
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185212 (current)	2016-08-07	cif/ Updating files of 7225194, 7225195, 7225196, 7225197, 7225198, 7225199, 7225200, 7225201, 7225202 Original log message: Adding full bibliography for 7225194--7225202.cif.	7225198.cif
182890	2016-05-12	cif/ Adding structures of 7225194, 7225195, 7225196, 7225197, 7225198, 7225199, 7225200, 7225201, 7225202 via cif-deposit CGI script.	7225198.cif