Crystallography Open Database

Information card for entry 1568258

Preview

Coordinates	1568258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 B F2 N2 O S
Calculated formula	C16 H9 B F2 N2 O S
SMILES	s1c2c([n]3c1C=C1N(c4ccccc4C1=O)[B]3(F)F)cccc2
Title of publication	BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.
Authors of publication	Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	6
Pages of publication	1434 - 1442
a	7.763 ± 0.003 Å
b	24.877 ± 0.01 Å
c	7.273 ± 0.003 Å
α	90°
β	90.525 ± 0.012°
γ	90°
Cell volume	1404.5 ± 1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
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	0.0977
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.214
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
281372 (current)	2023-03-04	cif/ Updating files of 1568257, 1568258, 1568259 Original log message: Adding full bibliography for 1568257--1568259.cif.	1568258.cif
280257	2023-01-10	cif/ Adding structures of 1568257, 1568258, 1568259 via cif-deposit CGI script.	1568258.cif