Crystallography Open Database

Information card for entry 4035844

Preview

Coordinates	4035844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O4
Calculated formula	C18 H19 N O4
SMILES	O=C1N(C(=O)[C@H]2[C@@H]1[C@@H]1CC(C[C@H]21)C(=O)OC)Cc1ccccc1
Title of publication	[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.
Authors of publication	Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	12
Pages of publication	6275 - 6289
a	12.0094 ± 0.0017 Å
b	9.0315 ± 0.0011 Å
c	59.748 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6480.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2183
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2593
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
227260 (current)	2019-11-11	cif/ Adding structures of 4035841, 4035842, 4035843, 4035844, 4035845, 4035846, 4035847, 4035848 via cif-deposit CGI script.	4035844.cif