Crystallography Open Database

Information card for entry 1501960

1501959 << 1501960 >> 1501961

Preview

Coordinates	1501960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 I N O2 S
Calculated formula	C28 H22 I N O2 S
SMILES	IC(=C(c1ccccc1)c1ccccc1)/C(=N\S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Title of publication	Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.
Authors of publication	Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1024 - 1027
a	9.2913 ± 0.0004 Å
b	29.4694 ± 0.0015 Å
c	8.8308 ± 0.0004 Å
α	90°
β	92.515 ± 0.004°
γ	90°
Cell volume	2415.62 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1501960.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501960.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501960.cif
35298	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501960 via cif-deposit CGI script.	1501960.cif