Crystallography Open Database

Information card for entry 4106519

Preview

Coordinates	4106519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37.25 N O8.12
Calculated formula	C28 H37.25 N O8.125
Title of publication	Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters
Authors of publication	Yuji Fujiwara; Gregory C. Fu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12293 - 12297
a	12.0044 ± 0.0001 Å
b	15.5921 ± 0.0002 Å
c	16.7986 ± 0.0002 Å
α	65.209 ± 0.001°
β	76.525 ± 0.001°
γ	89.311 ± 0.001°
Cell volume	2762.81 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106519.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106519.cif
53321	2012-04-19	cif/ Adding structures of 4106519 via cif-deposit CGI script.	4106519.cif