Crystallography Open Database

Information card for entry 1507572

Preview

Coordinates	1507572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O4 S
Calculated formula	C24 H23 N O4 S
SMILES	S(=O)(=O)(N1C(=O)[C@]([C@H]1c1ccc(OC)cc1)(C)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1C(=O)[C@@]([C@@H]1c1ccc(OC)cc1)(C)c1ccccc1)c1ccc(cc1)C
Title of publication	BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.
Authors of publication	Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	1784 - 1787
a	22.7677 ± 0.0006 Å
b	9.8927 ± 0.0003 Å
c	20.9508 ± 0.0008 Å
α	90°
β	117.639 ± 0.002°
γ	90°
Cell volume	4180.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507572.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507572.cif
57529	2012-05-18	cif/ Adding structures of 1507572 via cif-deposit CGI script.	1507572.cif