Crystallography Open Database

Information card for entry 4022584

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Coordinates	4022584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 B N2
Calculated formula	C54 H43 B N2
Title of publication	Tetrahedral Boron Chemistry for the Preparation of Highly Efficient "Cascatelle" Devices
Authors of publication	Christine Goze; Gilles Ulrich; Raymond Ziessel
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	313 - 322
a	31.0049 ± 0.0005 Å
b	9.3906 ± 0.0001 Å
c	28.4999 ± 0.0005 Å
α	90°
β	108.753 ± 0.005°
γ	90°
Cell volume	7857.4 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.095
Weighted residual factors for all reflections	0.214
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections	1.47
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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