Crystallography Open Database

Information card for entry 8000437

Preview

Coordinates	8000437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 F N O2
Calculated formula	C17 H16 F N O2
SMILES	OC(=C\C(=O)c1ccc(N(C)C)cc1)/c1cc(F)ccc1
Title of publication	Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.
Authors of publication	Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	5433 - 5438
a	15.4183 ± 0.0016 Å
b	12.1852 ± 0.0012 Å
c	7.8546 ± 0.0008 Å
α	90°
β	104.549 ± 0.004°
γ	90°
Cell volume	1428.4 ± 0.3 Å³
Cell temperature	216 K
Ambient diffraction temperature	216 K
Number of distinct elements	5
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	0.1168
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299426 (current)	2025-04-28	cif/8: Fixing Z values and formulae	8000437.cif
253501	2020-06-27	cif/ Adding structures of 8000437 via cif-deposit CGI script.	8000437.cif