Crystallography Open Database

Information card for entry 7042903

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Coordinates	7042903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H35 B F10 N2
Calculated formula	C49 H35 B F10 N2
Title of publication	FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.
Authors of publication	Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	16
Pages of publication	5308 - 5319
a	50.971 ± 0.013 Å
b	17.609 ± 0.004 Å
c	18.424 ± 0.005 Å
α	90°
β	104.812 ± 0.015°
γ	90°
Cell volume	15987 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1574
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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