Crystallography Open Database

Information card for entry 7229886

Preview

Coordinates	7229886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H88 B4 N4 O24
Calculated formula	C86 H88 B4 N4 O24
Title of publication	Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]
Authors of publication	Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	3
Pages of publication	1451
a	12.2938 ± 0.0001 Å
b	19.4089 ± 0.0002 Å
c	16.2958 ± 0.0002 Å
α	90°
β	90.477 ± 0.001°
γ	90°
Cell volume	3888.19 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0501
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
204739 (current)	2018-01-05	cif/ Adding structures of 7229882, 7229883, 7229884, 7229885, 7229886, 7229887 via cif-deposit CGI script.	7229886.cif