Crystallography Open Database

Information card for entry 1568731

Preview

Coordinates	1568731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H93 B2 Li O4
Calculated formula	C62 H93 B2 Li O4
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	11.9232 ± 0.0008 Å
b	19.4217 ± 0.0013 Å
c	25.512 ± 0.002 Å
α	90°
β	91.836 ± 0.008°
γ	90°
Cell volume	5904.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1579
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	0.749
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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