Crystallography Open Database

Information card for entry 7157922

Preview

Coordinates	7157922.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-Chlorophenyl)(3,5-diphenylcyclopent-2-en-1-yl)methanone
Formula	C24 H19 Cl O
Calculated formula	C24 H19 Cl O
Title of publication	An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.
Authors of publication	Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	11
Pages of publication	2487 - 2491
a	7.972 ± 0.003 Å
b	9.389 ± 0.003 Å
c	13.279 ± 0.005 Å
α	85.406 ± 0.017°
β	84.165 ± 0.019°
γ	67.62 ± 0.018°
Cell volume	913.4 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263849 (current)	2021-04-05	cif/ Updating files of 7157922 Original log message: Adding full bibliography for 7157922.cif.	7157922.cif
262453	2021-03-04	cif/ Adding structures of 7157922 via cif-deposit CGI script.	7157922.cif