Crystallography Open Database

Information card for entry 4035848

Preview

Coordinates	4035848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Br N O2
Calculated formula	C14 H14 Br N O2
SMILES	BrC[C@H]1C[C@@H]2C(=O)N(C(=O)[C@H]12)Cc1ccccc1.BrC[C@@H]1C[C@H]2C(=O)N(C(=O)[C@@H]12)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	6.3634 ± 0.0016 Å
b	17.543 ± 0.007 Å
c	12.5068 ± 0.0018 Å
α	90°
β	104.343 ± 0.019°
γ	90°
Cell volume	1352.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1353
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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.	4035848.cif