Crystallography Open Database

Information card for entry 1512365

Preview

Coordinates	1512365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H51.17 Cl4 N2 P2 Ru
Calculated formula	C46 H50 Cl4 N2 P2 Ru
SMILES	[Ru]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH]2CCCCC32CCCC[NH]13.C(Cl)Cl
Title of publication	1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.
Authors of publication	Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	4992 - 4995
a	45.361 ± 0.0007 Å
b	45.361 ± 0.0007 Å
c	11.08652 ± 0.00017 Å
α	90°
β	90°
γ	120°
Cell volume	19755.6 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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