Crystallography Open Database

Information card for entry 1515953

Preview

Coordinates	1515953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 O
Calculated formula	C31 H30 O
SMILES	O=C(C(c1ccc(cc1)c1ccccc1)(C)C)C(c1ccc(cc1)c1ccccc1)(C)C
Title of publication	Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state.
Authors of publication	Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2009
Journal volume	8
Journal issue	7
Pages of publication	961 - 969
a	8.1279 ± 0.0009 Å
b	6.3065 ± 0.0007 Å
c	22.035 ± 0.002 Å
α	90°
β	97.416 ± 0.002°
γ	90°
Cell volume	1120 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	1515953.cif
112679	2014-05-03	cif/ Adding structures of 1515953, 1515954 via cif-deposit CGI script.	1515953.cif