Crystallography Open Database

Information card for entry 1553967

Preview

Coordinates	1553967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H7 Cl F N O
Calculated formula	C15 H7 Cl F N O
SMILES	Clc1c2cc3c(oc2ccc1)nc1c3cc(F)cc1
Title of publication	Elemental sulfur accelerated the reactivity of the 3-position of indole for the construction of chromeno[2,3-b]indoles
Authors of publication	Liu, Jianming; Yan, Xuyang; Liu, Na; Zhang, Yanyan; Zhao, Shufang; Wang, Xiaopei; Zhuo, Kelei; Yue, Yuanyuan
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	6
Pages of publication	1034
a	8.9388 ± 0.0002 Å
b	9.7832 ± 0.0002 Å
c	13.5584 ± 0.0003 Å
α	90°
β	107.86 ± 0.003°
γ	90°
Cell volume	1128.54 ± 0.05 Å³
Cell temperature	294.5 ± 0.7 K
Ambient diffraction temperature	294.5 ± 0.7 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	0.0585
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
236215 (current)	2019-11-24	cif/ Adding structures of 1553967 via cif-deposit CGI script.	1553967.cif