Crystallography Open Database

Information card for entry 7020310

7020309 << 7020310 >> 7020311

Preview

Coordinates	7020310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16
Calculated formula	C15 H16
SMILES	C1CCCc2c1c(c1ccccc1c2)C
Title of publication	Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex.
Authors of publication	Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	46
Pages of publication	14117 - 14125
a	6.9319 ± 0.0011 Å
b	11.2138 ± 0.0016 Å
c	13.945 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1084 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179907 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/03.	7020310.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020310.cif
71564	2013-01-20	cif/ Adding structures of 7020308, 7020309, 7020310 via cif-deposit CGI script.	7020310.cif