Crystallography Open Database

Information card for entry 7232200

Preview

Structure parameters

Chemical name	((5-chloro-1H-indol-3-yl)(4-chlorophenyl)methyl)diphenylphosphine oxide
Formula	C27 H20 Cl2 N O P
Calculated formula	C27 H20 Cl2 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	9.594 ± 0.0002 Å
b	11.0586 ± 0.0003 Å
c	21.6374 ± 0.0005 Å
α	90°
β	93.293 ± 0.002°
γ	90°
Cell volume	2291.86 ± 0.09 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.053
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7232200.cif
224606	2019-11-08	cif/ Updating files of 7232200, 7232201 Original log message: Adding full bibliography for 7232200--7232201.cif.	7232200.cif
213255	2019-01-23	cif/ Adding structures of 7232200, 7232201 via cif-deposit CGI script.	7232200.cif