Crystallography Open Database

Information card for entry 7245195

Preview

Coordinates	7245195.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LXF-125nl
Formula	C17 H15 Cl N2 O
Calculated formula	C17 H15 Cl N2 O
SMILES	Clc1ccc(NC(=O)c2[nH]c3c(c2)c(C)cc(c3)C)cc1
Title of publication	Sustainable multicomponent indole synthesis with broad scope
Authors of publication	Lei, Xiaofang; Angeli, Giasemi K.; Neochoritis, Constantinos G.; Dömling, Alexander
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	16
Pages of publication	6168 - 6171
a	9.4666 ± 0.0003 Å
b	9.9691 ± 0.0003 Å
c	16.311 ± 0.0004 Å
α	100.153 ± 0.001°
β	104.072 ± 0.001°
γ	92.751 ± 0.001°
Cell volume	1463.08 ± 0.07 Å³
Cell temperature	199.98 K
Ambient diffraction temperature	199.98 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278423 (current)	2022-10-07	cif/ Updating files of 7245194, 7245195 Original log message: Adding full bibliography for 7245194--7245195.cif.	7245195.cif
276857	2022-07-23	cif/ Adding structures of 7245194, 7245195 via cif-deposit CGI script.	7245195.cif