Crystallography Open Database

Information card for entry 4111862

Preview

Coordinates	4111862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 N3 O4 Si
Calculated formula	C35 H37 N3 O4 Si
Title of publication	Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies
Authors of publication	Christiane Marti; Erick M. Carreira
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	11505 - 11515
a	12.642 ± 0.002 Å
b	11.274 ± 0.002 Å
c	13.052 ± 0.004 Å
α	90°
β	104.26 ± 0.02°
γ	90°
Cell volume	1802.9 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178889 (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 4/11/18.	4111862.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111862.cif
63474	2012-08-01	cif/ Adding structures of 4111862 via cif-deposit CGI script.	4111862.cif