Crystallography Open Database

Information card for entry 1512068

1512067 << 1512068 >> 1512069

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Structure parameters

Formula	C19 H26 O4 Ru
Calculated formula	C19 H26 O4 Ru
SMILES	[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[CH]3[C@H]2C[CH]4=[CH]5[C@@H](C1)C2.[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[CH]3[C@@H]2C[CH]4=[CH]5[C@H](C1)C2
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	7.804 ± 0.003 Å
b	10.072 ± 0.004 Å
c	12.89 ± 0.005 Å
α	83.87 ± 0.018°
β	75.728 ± 0.014°
γ	70.527 ± 0.011°
Cell volume	925.4 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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.	1512068.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.	1512068.cif
87206	2013-07-14	cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script.	1512068.cif