Crystallography Open Database

Information card for entry 1568476

Preview

Coordinates	1568476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 B P
Calculated formula	C36 H30 B P
Title of publication	An easy-to-perform evaluation of steric properties of Lewis acids
Authors of publication	Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2275 - 2288
a	9.8279 ± 0.0007 Å
b	9.8279 ± 0.0007 Å
c	8.0179 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	670.68 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 ± 0.12 K
Number of distinct elements	4
Space group number	185
Hermann-Mauguin space group symbol	P 63 c m
Hall space group symbol	P 6c -2
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
281389 (current)	2023-03-04	cif/ Updating files of 1568476 Original log message: Adding full bibliography for 1568476.cif.	1568476.cif
281050	2023-02-21	cif/ Adding structures of 1568476 via cif-deposit CGI script.	1568476.cif