Crystallography Open Database

Information card for entry 7157325

Preview

Coordinates	7157325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 O3
Calculated formula	C31 H28 O3
Title of publication	Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.
Authors of publication	Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	6
Pages of publication	1112 - 1116
a	10.771 ± 0.0005 Å
b	12.5336 ± 0.0005 Å
c	17.4579 ± 0.0007 Å
α	90°
β	106.903 ± 0.005°
γ	90°
Cell volume	2254.99 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
249037 (current)	2020-03-05	cif/ Updating files of 7157323, 7157324, 7157325, 7157326, 7157327 Original log message: Adding full bibliography for 7157323--7157327.cif.	7157325.cif
247280	2020-01-28	cif/ Adding structures of 7157323, 7157324, 7157325, 7157326, 7157327 via cif-deposit CGI script.	7157325.cif