Crystallography Open Database

Information card for entry 1518009

Preview

Coordinates	1518009.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diCN
Formula	C15 H12 N3
Calculated formula	C15 H12 N3
Title of publication	Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.
Authors of publication	Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	5608 - 5611
a	15.1235 ± 0.0014 Å
b	8.1521 ± 0.0007 Å
c	10.0755 ± 0.0009 Å
α	90°
β	102.546 ± 0.001°
γ	90°
Cell volume	1212.53 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0492
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518009.cif
127274	2014-11-12	cif/ Updating files of 1518007, 1518008, 1518009 Original log message: Adding full bibliography for 1518007--1518009.cif.	1518009.cif
125415	2014-10-15	cif/ Adding structures of 1518009 via cif-deposit CGI script.	1518009.cif