Crystallography Open Database

Information card for entry 1502854

Preview

Coordinates	1502854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 N2 O5 S
Calculated formula	C25 H34 N2 O5 S
SMILES	S1(=O)(=O)N(C(=O)[C@@]2(N([C@H]2c2ccccc2)C(=O)OC(C)(C)C)C)[C@H]2[C@@]3(C1)C(C)([C@@H](C2)CC3)C
Title of publication	Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.
Authors of publication	Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	1668 - 1671
a	11.8548 ± 0.0002 Å
b	11.8548 ± 0.0002 Å
c	31.3077 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	3810.4 ± 0.12 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502854.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502854.cif
36808	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502854 via cif-deposit CGI script.	1502854.cif