Crystallography Open Database

Information card for entry 1512072

1512071 << 1512072 >> 1512073

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Structure parameters

Formula	C21 H30 O4 Ru
Calculated formula	C21 H30 O4 Ru
SMILES	[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[C]3([C@H]2C[CH]4=[C]5([C@@H](C1)C2)C)C.[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[C]3([C@@H]2C[CH]4=[C]5([C@H](C1)C2)C)C
Title of publication	Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)–Bicyclononadiene Complex
Authors of publication	Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2486
a	30.662 ± 0.008 Å
b	10.244 ± 0.003 Å
c	15.125 ± 0.004 Å
α	90°
β	119.651 ± 0.003°
γ	90°
Cell volume	4129 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512072.cif
176729	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.	1512072.cif
87206	2013-07-14	cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script.	1512072.cif