Crystallography Open Database

Information card for entry 4074217

Preview

Coordinates	4074217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 B2 N2 V
Calculated formula	C16 H22 B2 N2 V
SMILES	[V]123456789%10%11[CH]%12=[CH]1[CH]3=[CH]4[CH]6=[CH]%10C7%12B(N(C)C)B(N(C)C)[c]12[cH]9[cH]8[cH]5[cH]%111
Title of publication	Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]
Authors of publication	Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4433
a	10.7505 ± 0.0017 Å
b	11.7485 ± 0.0019 Å
c	12.266 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1549.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074217.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074217.cif
48257	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074217, 4074218, 4074219 via cif-deposit CGI script.	4074217.cif