Crystallography Open Database

Information card for entry 7121680

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Structure parameters

Formula	C50 H40 B Cl6 F10 P
Calculated formula	C50 H40 B Cl6 F10 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	11.5136 ± 0.0005 Å
b	14.6603 ± 0.0006 Å
c	16.4813 ± 0.0006 Å
α	77.324 ± 0.001°
β	70.587 ± 0.001°
γ	67.496 ± 0.001°
Cell volume	2410.36 ± 0.17 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 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	0.0691
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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