Crystallography Open Database

Information card for entry 7232201

Preview

Coordinates	7232201.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(5-chloro-3-(1-phenylbutyl)-1H-indol-2-yl)diphenylphosphine oxide
Formula	C30 H27 Cl N O P
Calculated formula	C30 H27 Cl N O P
Title of publication	Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions
Authors of publication	Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	4
Pages of publication	792
a	8.6081 ± 0.0001 Å
b	16.0745 ± 0.0002 Å
c	18.0657 ± 0.0002 Å
α	90°
β	99.465 ± 0.001°
γ	90°
Cell volume	2465.74 ± 0.05 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
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	0.0817
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.0309
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
224606 (current)	2019-11-08	cif/ Updating files of 7232200, 7232201 Original log message: Adding full bibliography for 7232200--7232201.cif.	7232201.cif
213255	2019-01-23	cif/ Adding structures of 7232200, 7232201 via cif-deposit CGI script.	7232201.cif