Crystallography Open Database

Information card for entry 7229887

Preview

Coordinates	7229887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 B N2 O6
Calculated formula	C29 H35 B N2 O6
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	11.70439 ± 0.00017 Å
b	11.9649 ± 0.00018 Å
c	18.9233 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2650.05 ± 0.06 Å³
Cell temperature	281 ± 12 K
Ambient diffraction temperature	281 ± 12 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	0.031
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7229887.cif