Crystallography Open Database

Information card for entry 4035845

Preview

Coordinates	4035845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N O3
Calculated formula	C15 H15 N O3
SMILES	O=C1N(C(=O)[C@@H]2[C@H]1[C@H]1COC[C@@H]21)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	12.141 ± 0.003 Å
b	12.9427 ± 0.0019 Å
c	8.5151 ± 0.0019 Å
α	90°
β	109.14 ± 0.03°
γ	90°
Cell volume	1264.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1991
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	0.798
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.	4035845.cif