Crystallography Open Database

Information card for entry 1543197

Preview

Coordinates	1543197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 N3 O3
Calculated formula	C21 H12 N3 O3
Title of publication	First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.
Authors of publication	Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu
Journal of publication	Nanoscale
Year of publication	2016
Journal volume	8
Journal issue	21
Pages of publication	11224 - 11233
a	7.5752 ± 0.0018 Å
b	25.656 ± 0.005 Å
c	11.692 ± 0.002 Å
α	90°
β	100.74 ± 0.013°
γ	90°
Cell volume	2232.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.2061
Residual factor for significantly intense reflections	0.1417
Weighted residual factors for significantly intense reflections	0.4057
Weighted residual factors for all reflections included in the refinement	0.4303
Goodness-of-fit parameter for all reflections included in the refinement	1.359
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
183718 (current)	2016-06-18	cif/ Updating files of 1543197, 1543198 Original log message: Adding full bibliography for 1543197--1543198.cif.	1543197.cif
182352	2016-04-28	cif/ Adding structures of 1543197 via cif-deposit CGI script.	1543197.cif