Crystallography Open Database

Information card for entry 4106234

Preview

Coordinates	4106234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H110 B4 Br4
Calculated formula	C87 H110 B4 Br4
Title of publication	Applying the Oligomer Approach to Luminescent Conjugated Organoboranes
Authors of publication	Pangkuan Chen; Roger A. Lalancette; Frieder Jäkle
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8802 - 8805
a	12.6363 ± 0.0003 Å
b	16.863 ± 0.0004 Å
c	21.4921 ± 0.0005 Å
α	85.226 ± 0.001°
β	89.14 ± 0.001°
γ	68.436 ± 0.001°
Cell volume	4243.75 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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