Crystallography Open Database

Information card for entry 4068163

Preview

Coordinates	4068163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H15 B Cl F10 N
Calculated formula	C30 H15 B Cl F10 N
SMILES	Cl[B]([n]1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)C(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
Title of publication	Insertion Reactions of Diazomethanes and Electrophilic Boranes
Authors of publication	Neu, Rebecca C.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	46
a	8.2719 ± 0.0003 Å
b	17.887 ± 0.0007 Å
c	17.4067 ± 0.0007 Å
α	90°
β	92.931 ± 0.002°
γ	90°
Cell volume	2572.12 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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