Crystallography Open Database

Information card for entry 7156748

Preview

Coordinates	7156748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H29 Br N2 O5
Calculated formula	C35 H29 Br N2 O5
Title of publication	Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.
Authors of publication	Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	16
Pages of publication	3945 - 3950
a	19.3581 ± 0.0002 Å
b	25.0827 ± 0.0003 Å
c	6.72 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3262.92 ± 0.07 Å³
Cell temperature	118.4 ± 0.8 K
Ambient diffraction temperature	118.4 ± 0.8 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	0.871
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225163 (current)	2019-11-08	cif/ Updating files of 7156748 Original log message: Adding full bibliography for 7156748.cif.	7156748.cif
214369	2019-03-27	cif/ Adding structures of 7156748 via cif-deposit CGI script.	7156748.cif