Crystallography Open Database

Information card for entry 1568734

Preview

Coordinates	1568734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H75 B2 K O2
Calculated formula	C54 H75 B2 K O2
Title of publication	Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.
Authors of publication	Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4589 - 4596
a	14.9707 ± 0.0012 Å
b	21.1115 ± 0.0013 Å
c	17.2101 ± 0.0016 Å
α	90°
β	113.427 ± 0.01°
γ	90°
Cell volume	4990.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0893
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284207 (current)	2023-06-05	cif/ Updating files of 1568727, 1568728, 1568729, 1568730, 1568731, 1568732, 1568733, 1568734, 1568735, 1568736, 1568737 Original log message: Adding full bibliography for 1568727--1568737.cif.	1568734.cif
282160	2023-04-01	cif/ Adding structures of 1568727, 1568728, 1568729, 1568730, 1568731, 1568732, 1568733, 1568734, 1568735, 1568736, 1568737 via cif-deposit CGI script.	1568734.cif