Crystallography Open Database

Information card for entry 7156974

Preview

Coordinates	7156974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N2 O4
Calculated formula	C28 H26 N2 O4
Title of publication	Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.
Authors of publication	Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	29
Pages of publication	7013 - 7024
a	8.1876 ± 0.0016 Å
b	14.121 ± 0.003 Å
c	19.915 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2302.5 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1373
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225018 (current)	2019-11-08	cif/ Updating files of 7156973, 7156974, 7156975 Original log message: Adding full bibliography for 7156973--7156975.cif.	7156974.cif
217020	2019-07-14	cif/ Adding structures of 7156973, 7156974, 7156975 via cif-deposit CGI script.	7156974.cif