Crystallography Open Database

Information card for entry 4107809

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Coordinates	4107809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 B Cl F4 N2 O0.5
Calculated formula	C26.75 H24 B Cl F4 N2
Title of publication	Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
Authors of publication	Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6848 - 6858
a	9.228 ± 0.0002 Å
b	18.6499 ± 0.0003 Å
c	14.0852 ± 0.0003 Å
α	90°
β	92.2427 ± 0.001°
γ	90°
Cell volume	2422.22 ± 0.08 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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