Crystallography Open Database

Information card for entry 1544005

Preview

Coordinates	1544005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.545 H1.636 N0.364 O0.182
Calculated formula	C2.54545 H1.63636 N0.363636 O0.181818
Title of publication	Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission.
Authors of publication	Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	1
Pages of publication	577 - 582
a	6.5174 ± 0.0004 Å
b	9.8469 ± 0.0005 Å
c	10.3476 ± 0.0005 Å
α	113.309 ± 0.005°
β	95.997 ± 0.005°
γ	104.217 ± 0.005°
Cell volume	575.83 ± 0.06 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.0717
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
196312 (current)	2017-05-06	cif/ Updating files of 1544005 Original log message: Adding full bibliography for 1544005.cif.	1544005.cif
191536	2017-02-04	cif/ Updating files of 1544005 Original log message: Adding full bibliography for 1544005.cif.	1544005.cif
186099	2016-09-01	cif/ Adding structures of 1544005 via cif-deposit CGI script.	1544005.cif