Crystallography Open Database

Information card for entry 7042899

Preview

Coordinates	7042899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H17 B F10 N O
Calculated formula	C34 H17 B F10 N O
SMILES	N1([B](Oc2c3ccccc3c3ccccc3c12)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(C)cccc1C
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	17.968 ± 0.003 Å
b	22.919 ± 0.004 Å
c	16.083 ± 0.003 Å
α	90°
β	122.027 ± 0.007°
γ	90°
Cell volume	5615.1 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0961
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196242 (current)	2017-05-05	cif/ Adding structures of 7042895, 7042896, 7042897, 7042898, 7042899, 7042900, 7042901, 7042902, 7042903, 7042904 via cif-deposit CGI script.	7042899.cif