Crystallography Open Database

Information card for entry 7121679

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Structure parameters

Formula	C53 H48 B F10 N2 P
Calculated formula	C53 H48 B F10 N2 P
Title of publication	Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.
Authors of publication	Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	49
Pages of publication	6344 - 6347
a	11.6758 ± 0.0002 Å
b	12.5018 ± 0.0002 Å
c	19.7217 ± 0.0004 Å
α	90.855 ± 0.001°
β	106.41 ± 0.001°
γ	104.165 ± 0.001°
Cell volume	2666.56 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0778
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1639
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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