Crystallography Open Database

Information card for entry 1506316

Preview

Coordinates	1506316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26
Calculated formula	C32 H26
SMILES	c1cccc2c1C1(c3c(C42C2(c5ccccc5C(c5c2cccc5)(C4)C)C1)cccc3)C
Title of publication	Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.
Authors of publication	Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	6079 - 6082
a	9.544 ± 0.002 Å
b	11.546 ± 0.003 Å
c	10.453 ± 0.003 Å
α	90 ± 0.0008°
β	107.808 ± 0.0009°
γ	90 ± 0.0008°
Cell volume	1096.7 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	2
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	0.0498
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.7107 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.	1506316.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506316.cif
48184	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506316 via cif-deposit CGI script.	1506316.cif