Crystallography Open Database

Information card for entry 4311774

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Structure parameters

Formula	C21 H34 N2
Calculated formula	C21 H34 N2
SMILES	N(=C(\C=C(NC(C)(C)C)C)C)/c1c(cccc1C(C)C)C(C)C
Title of publication	Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes
Authors of publication	Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6786 - 6792
a	9.1758 ± 0.0006 Å
b	10.82 ± 0.0007 Å
c	11.9514 ± 0.0008 Å
α	103.271 ± 0.002°
β	97.482 ± 0.002°
γ	109.561 ± 0.002°
Cell volume	1060.12 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1316
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2127
Weighted residual factors for all reflections included in the refinement	0.2453
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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