Crystallography Open Database

Information card for entry 4519162

4519161 << 4519162 >> 4519163

Preview

Coordinates	4519162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 O3 P
Calculated formula	C25 H21 O3 P
SMILES	P(=O)([C@@H](c1ccc(O)cc1)c1c(O)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition
Authors of publication	Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	14168 - 14180
a	10.772 ± 0.0004 Å
b	13.7803 ± 0.0006 Å
c	13.8713 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2059.08 ± 0.15 Å³
Cell temperature	292.08 ± 0.18 K
Ambient diffraction temperature	292.08 ± 0.18 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271028 (current)	2021-12-03	cif/ Adding structures of 4519162 via cif-deposit CGI script.	4519162.cif