Crystallography Open Database

Information card for entry 7156814

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Coordinates	7156814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 B2 O4
Calculated formula	C30 H26 B2 O4
Title of publication	Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.
Authors of publication	Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5060 - 5065
a	5.7975 ± 0.0006 Å
b	21.031 ± 0.0017 Å
c	10.4761 ± 0.0009 Å
α	90°
β	93.583 ± 0.007°
γ	90°
Cell volume	1274.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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