Crystallography Open Database

Information card for entry 4119593

4119592 << 4119593 >> 4119594

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Coordinates	4119593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H60 N4 O4 S2
Calculated formula	C39 H60 N4 O4 S2
Title of publication	Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides
Authors of publication	Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5565 - 5568
a	9.3958 ± 0.0003 Å
b	17.6638 ± 0.0006 Å
c	26.0979 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4331.4 ± 0.2 Å³
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.0609
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119593.cif
103753	2014-03-06	cif/ Adding structures of 4119593 via cif-deposit CGI script.	4119593.cif