Crystallography Open Database

Information card for entry 1515617

Preview

Coordinates	1515617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O2
Calculated formula	C27 H20 O2
SMILES	OC1(c2ccccc2)c2c(C(C1=O)(c1ccccc1)c1ccccc1)cccc2
Title of publication	Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone
Authors of publication	Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	8
Pages of publication	1497
a	8.5144 ± 0.0008 Å
b	8.9709 ± 0.0008 Å
c	13.415 ± 0.0013 Å
α	92.829 ± 0.001°
β	103.59 ± 0.001°
γ	102.048 ± 0.001°
Cell volume	968.8 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	1515617.cif
111883	2014-04-28	cif/ Adding structures of 1515617 via cif-deposit CGI script.	1515617.cif