Crystallography Open Database

Information card for entry 1506170

Preview

Coordinates	1506170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 N O2.5 S1.5
Calculated formula	C13 H17 N O4 S
Title of publication	Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.
Authors of publication	Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	19
Pages of publication	4295 - 4298
a	5.6042 ± 0.0009 Å
b	10.207 ± 0.001 Å
c	14.106 ± 0.002 Å
α	74.48 ± 0.01°
β	78.5 ± 0.01°
γ	75.38 ± 0.01°
Cell volume	744.74 ± 0.18 Å³
Cell temperature	213.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.325
Goodness-of-fit parameter for all reflections included in the refinement	2.733
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506170.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506170.cif
48056	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506170 via cif-deposit CGI script.	1506170.cif