Crystallography Open Database

Information card for entry 4106491

Preview

Coordinates	4106491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 B F4 N2 Si
Calculated formula	C17 H21 B F4 N2 Si
Title of publication	Boron in Disguise: The Parent "Fused" BN Indole
Authors of publication	Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11508 - 11511
a	7.091 ± 0.004 Å
b	11.046 ± 0.006 Å
c	13.008 ± 0.007 Å
α	104.199 ± 0.009°
β	99.358 ± 0.009°
γ	107.318 ± 0.008°
Cell volume	911.9 ± 0.9 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	0.1497
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.216
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
178810 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/64.	4106491.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106491.cif
53292	2012-04-19	cif/ Adding structures of 4106491 via cif-deposit CGI script.	4106491.cif