Crystallography Open Database

Information card for entry 7247605

Preview

Coordinates	7247605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Br O4 P
Calculated formula	C32 H28 Br O4 P
Title of publication	Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification
Authors of publication	Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	24
Pages of publication	10587 - 10595
a	21.1054 ± 0.001 Å
b	11.235 ± 0.0003 Å
c	24.6803 ± 0.0012 Å
α	90°
β	106.321 ± 0.005°
γ	90°
Cell volume	5616.3 ± 0.4 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288817 (current)	2024-01-06	cif/ Updating files of 7247605, 7247606, 7247607, 7247608 Original log message: Adding full bibliography for 7247605--7247608.cif.	7247605.cif
287186	2023-11-01	cif/ Adding structures of 7247605, 7247606, 7247607, 7247608 via cif-deposit CGI script.	7247605.cif