Crystallography Open Database

Information card for entry 1519690

1519689 << 1519690 >> 1519691

Preview

Coordinates	1519690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N
Calculated formula	C26 H18 N
SMILES	N(c1c2ccccc2cc2ccccc12)(c1ccccc1)c1ccccc1
Title of publication	Directional Control of π-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study.
Authors of publication	Sasaki, Shunsuke; Hattori, Kengo; Igawa, Kazunobu; Konishi, Gen-Ichi
Journal of publication	The journal of physical chemistry. A
Year of publication	2015
Journal volume	119
Journal issue	20
Pages of publication	4898 - 4906
a	12.939 ± 0.003 Å
b	8.692 ± 0.002 Å
c	16.454 ± 0.004 Å
α	90°
β	105.933 ± 0.016°
γ	90°
Cell volume	1779.4 ± 0.7 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
138290 (current)	2015-06-05	cif/ Updating files of 1519689, 1519690 Original log message: Adding full bibliography for 1519689--1519690.cif.	1519690.cif
136824	2015-05-18	cif/ Adding structures of 1519690 via cif-deposit CGI script.	1519690.cif