Crystallography Open Database

Information card for entry 7104142

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Coordinates	7104142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H35 N O5 S2
Calculated formula	C34 H35 N O5 S2
Title of publication	Highly regioselective ring-opening of trisubstituted aziridines by sulfur-stabilised carbanions.
Authors of publication	Carballares, Santiago; Craig, Donald; Hyland, Christopher J T; Lu, Pengfei; Mathie, Tanya; White, Andrew J P
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	4
Pages of publication	451 - 453
a	16.4954 ± 0.0002 Å
b	13.9284 ± 0.0003 Å
c	26.6078 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6113.26 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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