Crystallography Open Database

Information card for entry 1571608

Preview

Coordinates	1571608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Cl F3 N2 O2
Calculated formula	C15 H10 Cl F3 N2 O2
Title of publication	Trimodal operation of a robust smart organic crystal.
Authors of publication	Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9287 - 9297
a	18.8875 ± 0.0003 Å
b	8.26765 ± 0.00014 Å
c	19.4727 ± 0.0003 Å
α	90°
β	96.5615 ± 0.0014°
γ	90°
Cell volume	3020.85 ± 0.08 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
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	0.0648
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
292861 (current)	2024-07-05	cif/ Updating files of 1571604, 1571605, 1571606, 1571607, 1571608, 1571609 Original log message: Adding full bibliography for 1571604--1571609.cif.	1571608.cif
291828	2024-05-14	cif/ Adding structures of 1571604, 1571605, 1571606, 1571607, 1571608, 1571609 via cif-deposit CGI script.	1571608.cif