Crystallography Open Database

Information card for entry 4312009

4312008 << 4312009 >> 4312010

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Structure parameters

Formula	C41 H84 N25 P3
Calculated formula	C41 H84 N25 P3
SMILES	P12(=NN=NC3CC(N=NN=P45N(C)CCN(CCN5C)CCN4C)CC(N=NN=P45N(C)CCN(CCN4C)CCN5C)C3)N(C)CCN(CCN1C)CCN2C.N#CC.N#CC.N#CC.N#CC
Title of publication	An Investigation of Staudinger Reactions Involving cis-1,3,5-Triazidocyclohexane and Tri(alkylamino)phosphines
Authors of publication	Xiaodong Liu; Natesan Thirupathi; Ilia A. Guzei; John G. Verkade
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7431 - 7440
a	10.9785 ± 0.0005 Å
b	11.2183 ± 0.0005 Å
c	24.4543 ± 0.0011 Å
α	77.8998 ± 0.001°
β	83.5096 ± 0.001°
γ	73.7155 ± 0.001°
Cell volume	2822 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0457
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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