Crystallography Open Database

Information card for entry 7237350

Preview

Coordinates	7237350.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate
Chemical name	(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate
Formula	C15 H32 B10 N2 O4
Calculated formula	C15 H32 B10 N2 O4
Title of publication	Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes
Authors of publication	Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	32
Pages of publication	8638
a	9.994 ± 0.006 Å
b	10.816 ± 0.004 Å
c	21.367 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	2310 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0525
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237620 (current)	2019-11-24	cif/ Adding structures of 7237347, 7237348, 7237349, 7237350, 7237351, 7237352, 7237353, 7237354 via cif-deposit CGI script.	7237350.cif