Crystallography Open Database

Information card for entry 1543805

Preview

Coordinates	1543805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 N O4 S
Calculated formula	C30 H23 N O4 S
SMILES	S(=O)(=O)(c1ccc(cc1)C)N1C(=O)C(=C(C1)C(=O)c1ccccc1)c1c(c2ccccc2)cccc1
Title of publication	Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.
Authors of publication	Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	3066 - 3069
a	18.3425 ± 0.0003 Å
b	10.4967 ± 0.0002 Å
c	52.3489 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10079 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184888 (current)	2016-08-05	cif/ Adding structures of 1543805 via cif-deposit CGI script.	1543805.cif