Crystallography Open Database

Information card for entry 7237348

Preview

Coordinates	7237348.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate
Chemical name	(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate
Formula	C16 H36 B10 N2 O4
Calculated formula	C16 H36 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	11.118 ± 0.007 Å
b	9.389 ± 0.004 Å
c	13.347 ± 0.007 Å
α	90°
β	109.56 ± 0.05°
γ	90°
Cell volume	1312.8 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7237348.cif