Crystallography Open Database

Information card for entry 7058037

Preview

Coordinates	7058037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H21 N O3
Calculated formula	C11 H21 N O3
Title of publication	Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain
Authors of publication	Kodama, Koichi; Kawamata, Ryuta; Hirose, Takuji
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	7
Pages of publication	2882
a	5.288 ± 0.003 Å
b	7.448 ± 0.005 Å
c	30.857 ± 0.019 Å
α	90°
β	92.94 ± 0.007°
γ	90°
Cell volume	1213.7 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2111
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224880 (current)	2019-11-08	cif/ Updating files of 7058036, 7058037, 7058038 Original log message: Adding full bibliography for 7058036--7058038.cif.	7058037.cif
212542	2018-12-12	cif/ Adding structures of 7058036, 7058037, 7058038 via cif-deposit CGI script.	7058037.cif