Crystallography Open Database

Information card for entry 4105733

Preview

Coordinates	4105733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H20 B Cl2 F10 N
Calculated formula	C24.5 H20 B Cl2 F10 N
Title of publication	Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination
Authors of publication	Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3480 - 3491
a	9.4976 ± 0.0005 Å
b	12.4411 ± 0.0008 Å
c	12.8064 ± 0.0008 Å
α	88.834 ± 0.004°
β	78.248 ± 0.003°
γ	74.602 ± 0.005°
Cell volume	1427.4 ± 0.15 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2429
Weighted residual factors for all reflections included in the refinement	0.2608
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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