Crystallography Open Database

Information card for entry 1502855

Preview

Coordinates	1502855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 N2 O5 S
Calculated formula	C21 H26 N2 O5 S
SMILES	S1(=O)(=O)N([C@@H]2C[C@@H]3C([C@]2(CC3)C1)(C)C)C(=O)[C@@]1(NC(=O)O[C@H]1c1ccccc1)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	6.78085 ± 0.00012 Å
b	16.122 ± 0.0003 Å
c	18.0004 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1967.82 ± 0.06 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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.	1502855.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502855.cif
36809	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502855 via cif-deposit CGI script.	1502855.cif