Crystallography Open Database

Information card for entry 7155309

Preview

Coordinates	7155309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 N O4
Calculated formula	C34 H31 N O4
SMILES	N1(C(C(CC1c1ccccc1)(C(=O)OC)C(=O)OC)=C(c1ccccc1)c1ccccc1)c1ccc(cc1)C
Title of publication	Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.
Authors of publication	Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10275 - 10284
a	10.4127 ± 0.0004 Å
b	10.9678 ± 0.0004 Å
c	12.8544 ± 0.0005 Å
α	81.329 ± 0.002°
β	89.605 ± 0.002°
γ	65.632 ± 0.001°
Cell volume	1319.47 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.05
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188290 (current)	2016-11-08	cif/ Updating files of 7155309, 7155310 Original log message: Adding full bibliography for 7155309--7155310.cif.	7155309.cif
187294	2016-10-12	cif/ Adding structures of 7155309, 7155310 via cif-deposit CGI script.	7155309.cif