Crystallography Open Database

Information card for entry 7156431

Preview

Coordinates	7156431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 F3 N O4
Calculated formula	C19 H18 F3 N O4
Title of publication	Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.
Authors of publication	Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	40
Pages of publication	7400 - 7416
a	10.5475 ± 0.0015 Å
b	20.671 ± 0.003 Å
c	24.988 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5448.1 ± 1.4 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230777 (current)	2019-11-17	cif/ Updating files of 7156430, 7156431, 7156432, 7156433 Original log message: Adding full bibliography for 7156430--7156433.cif.	7156431.cif
211040	2018-09-18	cif/ Adding structures of 7156430, 7156431, 7156432, 7156433 via cif-deposit CGI script.	7156431.cif