Crystallography Open Database

Information card for entry 4119367

4119366 << 4119367 >> 4119368

Preview

Coordinates	4119367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N O4
Calculated formula	C27 H29 N O4
Title of publication	Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems
Authors of publication	Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2478 - 2481
a	7.9616 ± 0.0002 Å
b	17.3191 ± 0.0004 Å
c	17.5815 ± 0.0012 Å
α	68.476 ± 0.005°
β	88.094 ± 0.006°
γ	89.144 ± 0.006°
Cell volume	2253.96 ± 0.19 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119367.html