Crystallography Open Database

Information card for entry 7229883

Preview

Coordinates	7229883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 B N O6
Calculated formula	C30 H44 B N O6
SMILES	[B]12(OC(=O)c3c(O1)cccc3)OC(=O)c1c(O2)cccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
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	9.49961 ± 0.00015 Å
b	13.42524 ± 0.00018 Å
c	12.0837 ± 0.0002 Å
α	90°
β	110.171 ± 0.0019°
γ	90°
Cell volume	1446.57 ± 0.04 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	0.0305
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
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
204739 (current)	2018-01-05	cif/ Adding structures of 7229882, 7229883, 7229884, 7229885, 7229886, 7229887 via cif-deposit CGI script.	7229883.cif