Crystallography Open Database

Information card for entry 7239763

Preview

Coordinates	7239763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cl O4
Calculated formula	C27 H25 Cl O4
Title of publication	Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst
Authors of publication	Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	5
Pages of publication	1594 - 1604
a	8.4738 ± 0.0002 Å
b	24.4748 ± 0.0006 Å
c	11.8708 ± 0.0003 Å
α	90°
β	91.051 ± 0.001°
γ	90°
Cell volume	2461.53 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.09
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
257583 (current)	2020-10-06	cif/ Updating files of 7239763, 7239764 Original log message: Adding full bibliography for 7239763--7239764.cif.	7239763.cif
250325	2020-04-05	cif/ Updating files of 7239763, 7239764 Original log message: Adding full bibliography for 7239763--7239764.cif.	7239763.cif
246941	2020-01-17	cif/ Adding structures of 7239763, 7239764 via cif-deposit CGI script.	7239763.cif