Crystallography Open Database

Information card for entry 7128471

Preview

Coordinates	7128471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl F3 N O4 S
Calculated formula	C17 H21 Cl F3 N O4 S
Title of publication	Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.
Authors of publication	Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	56
Pages of publication	6915 - 6918
a	7.377 ± 0.0008 Å
b	11.8839 ± 0.0013 Å
c	12.493 ± 0.0017 Å
α	90.57 ± 0.01°
β	106.868 ± 0.011°
γ	100.186 ± 0.009°
Cell volume	1029.4 ± 0.2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2428
Weighted residual factors for all reflections included in the refinement	0.275
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268520 (current)	2021-09-06	cif/ Updating files of 7128471, 7128472, 7128473, 7128474, 7128475 Original log message: Adding full bibliography for 7128471--7128475.cif.	7128471.cif
266330	2021-06-10	cif/ Adding structures of 7128471, 7128472, 7128473, 7128474, 7128475 via cif-deposit CGI script.	7128471.cif