Crystallography Open Database

Information card for entry 7061428

Preview

Coordinates	7061428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H29 N5 O2 S
Calculated formula	C37 H29 N5 O2 S
Title of publication	Red to near-infrared piezochromism from AIE-active luminophores: isolated dimers facilitating a wide-range redshift
Authors of publication	Lv, Long; Ye, Lijie; Cao, Feng; Yang, Shengchen; Song, Qingbao; Zou, Bo; Wang, Kai; Lv, Chunyan; Zhang, Cheng; Zhang, Yujian
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	16
Pages of publication	7741 - 7747
a	22.881 ± 0.003 Å
b	7.8734 ± 0.0009 Å
c	35.026 ± 0.004 Å
α	90°
β	103.06 ± 0.007°
γ	90°
Cell volume	6146.8 ± 1.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275017 (current)	2022-05-05	cif/ Updating files of 7061428, 7061429 Original log message: Adding full bibliography for 7061428--7061429.cif.	7061428.cif
274410	2022-04-07	cif/ Adding structures of 7061428, 7061429 via cif-deposit CGI script.	7061428.cif