Crystallography Open Database

Information card for entry 2239058

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Structure parameters

Common name	N-Tris-2-phenylaziridine
Chemical name	<i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine
Formula	C23 H31 N O2 S
Calculated formula	C23 H31 N O2 S
SMILES	S(=O)(=O)(N1CC1c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	<i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine
Authors of publication	Golz, Christopher; Preut, Hans; Strohmann, Carsten
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o153
a	6.3037 ± 0.0003 Å
b	9.6995 ± 0.0005 Å
c	18.6675 ± 0.0009 Å
α	75.28 ± 0.004°
β	86.842 ± 0.004°
γ	84.404 ± 0.004°
Cell volume	1098.11 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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