Crystallography Open Database

Information card for entry 1552949

Preview

Coordinates	1552949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.05 H12.45 N O5
Calculated formula	C16.05 H12.45 N O5
Title of publication	Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.
Authors of publication	Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	2
Pages of publication	403 - 408
a	15.0405 ± 0.0002 Å
b	8.4792 ± 0.0001 Å
c	13.8431 ± 0.0001 Å
α	90°
β	106.602 ± 0.001°
γ	90°
Cell volume	1691.83 ± 0.03 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250228 (current)	2020-04-05	cif/ Updating files of 1552948, 1552949 Original log message: Adding full bibliography for 1552948--1552949.cif.	1552949.cif
247646	2020-02-04	cif/ Updating files of 1552948, 1552949 Original log message: Adding full bibliography for 1552948--1552949.cif.	1552949.cif
231103	2019-11-21	cif/ Adding structures of 1552948, 1552949 via cif-deposit CGI script.	1552949.cif