Crystallography Open Database

Information card for entry 7154288

Preview

Coordinates	7154288.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3R,5R)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate
Formula	C25 H29 N O7
Calculated formula	C24.195 H26.235 N O6.77
Title of publication	Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.
Authors of publication	Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	9
Pages of publication	2640 - 2651
a	12.1483 ± 0.0004 Å
b	13.9559 ± 0.0004 Å
c	13.7585 ± 0.0004 Å
α	90°
β	90.921 ± 0.002°
γ	90°
Cell volume	2332.32 ± 0.12 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.891
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180328 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/42.	7154288.cif
133559	2015-03-06	cif/ Updating files of 7154288 Original log message: Adding full bibliography for 7154288.cif.	7154288.cif
129604	2015-01-14	cif/ Adding structures of 7154288 via cif-deposit CGI script.	7154288.cif