Crystallography Open Database

Information card for entry 7124717

Preview

Coordinates	7124717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.98 H46.96 Ag Cl3.96 N3 O4 P
Calculated formula	C42.981 H46.96 Ag Cl3.961 N3 O4 P
Title of publication	Catalytic enantio- and diastereoselective Mannich reaction of α-substituted isocyanoacetates and ketimines.
Authors of publication	de la Campa, Raquel; Gammack Yamagata, Adam D.; Ortín, Irene; Franchino, Allegra; Thompson, Amber L.; Odell, Barbara; Dixon, Darren J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	70
Pages of publication	10632 - 10635
a	14.018 ± 0.0001 Å
b	17.0222 ± 0.0001 Å
c	19.3743 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4623.04 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0276
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections	0.0715
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.0014
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234159 (current)	2019-11-23	cif/ Adding structures of 7124717 via cif-deposit CGI script.	7124717.cif