Crystallography Open Database

Information card for entry 4069004

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Coordinates	4069004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H161 O3.5 Sn2
Calculated formula	C118 H161 O3.5 Sn2
Title of publication	From a Stannene and Quinones to Various Tin-Containing Heterocycles
Authors of publication	Ghereg, Dumitru; Ranaivonjatovo, Henri; Saffon, Nathalie; Gornitzka, Heinz; Escudié, Jean
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2294
a	21.4073 ± 0.0003 Å
b	14.5881 ± 0.0002 Å
c	34.8664 ± 0.0006 Å
α	90°
β	102.277 ± 0.001°
γ	90°
Cell volume	10639.5 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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