Crystallography Open Database

Information card for entry 1505874

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Structure parameters

Formula	C17 H23 N O2 S
Calculated formula	C17 H23 N O2 S
SMILES	S(=O)(=O)(N1CC(=CCCC(=CC1)C)C)c1ccc(cc1)C
Title of publication	Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.
Authors of publication	Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	5
Pages of publication	963 - 965
a	9.9133 ± 0.0001 Å
b	15.9233 ± 0.0004 Å
c	10.8269 ± 0.0002 Å
α	90°
β	105.844 ± 0.002°
γ	90°
Cell volume	1644.12 ± 0.06 Å³
Cell temperature	253 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505874.cif
176435	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.	1505874.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505874.cif
47811	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505874 via cif-deposit CGI script.	1505874.cif