Crystallography Open Database

Information card for entry 7156878

Preview

Coordinates	7156878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 B N O4
Calculated formula	C12 H16 B N O4
Title of publication	Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
Authors of publication	Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	24
Pages of publication	5908 - 5912
a	11.3174 ± 0.0002 Å
b	13.2547 ± 0.0003 Å
c	7.8913 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1183.76 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225036 (current)	2019-11-08	cif/ Updating files of 7156878, 7156879 Original log message: Adding full bibliography for 7156878--7156879.cif.	7156878.cif
215436	2019-05-23	cif/ Adding structures of 7156878, 7156879 via cif-deposit CGI script.	7156878.cif