Crystallography Open Database

Information card for entry 1572399

Preview

Coordinates	1572399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 B Cl5 F N2 O
Calculated formula	C28 H33 B Cl5 F N2 O
Title of publication	Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.
Authors of publication	Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15679 - 15689
a	8.5595 ± 0.0002 Å
b	18.0868 ± 0.0004 Å
c	18.9345 ± 0.0004 Å
α	90°
β	99.522 ± 0.007°
γ	90°
Cell volume	2890.94 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295205 (current)	2024-10-06	cif/ Updating files of 1572399, 1572400 Original log message: Adding full bibliography for 1572399--1572400.cif.	1572399.cif
294222	2024-08-27	cif/ Adding structures of 1572399, 1572400 via cif-deposit CGI script.	1572399.cif