Crystallography Open Database

Information card for entry 7219946

7219945 << 7219946 >> 7219947

Preview

Coordinates	7219946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 N O6 S
Calculated formula	C26 H35 N O6 S
SMILES	S1(=O)(=O)[C@H]2[C@@H](N(C(C)C)CC1)[C@H](O[C@@H]([C@H]2OCc1ccccc1)COCc1ccccc1)OC
Title of publication	1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization
Authors of publication	Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	35
Pages of publication	27706
a	29.038 ± 0.006 Å
b	5.6706 ± 0.0012 Å
c	19.411 ± 0.004 Å
α	90°
β	123.093 ± 0.006°
γ	90°
Cell volume	2677.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2378
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219946.cif
134144	2015-03-19	cif/ Adding structures of 7219944, 7219945, 7219946 via cif-deposit CGI script.	7219946.cif