Crystallography Open Database

Information card for entry 7157464

Preview

Coordinates	7157464.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one
Formula	C22 H18 O2
Calculated formula	C22 H18 O2
SMILES	o1c(c2ccccc2)cc2c1CCCC(=O)C=C2c1ccccc1
Title of publication	A base-promoted tandem approach to bicyclic 8-membered ring ketones.
Authors of publication	Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	17
Pages of publication	3249 - 3253
a	8.6541 ± 0.0005 Å
b	5.7809 ± 0.0003 Å
c	33.543 ± 0.002 Å
α	90°
β	97.281 ± 0.004°
γ	90°
Cell volume	1664.57 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252901 (current)	2020-06-05	cif/ Updating files of 7157464 Original log message: Adding full bibliography for 7157464.cif.	7157464.cif
250681	2020-04-13	cif/ Adding structures of 7157464 via cif-deposit CGI script.	7157464.cif