Crystallography Open Database

Information card for entry 1518260

Preview

Coordinates	1518260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 B Br S Sn
Calculated formula	C33 H36 B Br S Sn
SMILES	[Sn](c1sc(Br)cc1C#Cc1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1)(C)(C)C
Title of publication	Regioregular Organoborane-Functionalized Poly(3-alkynylthiophene)s
Authors of publication	Guo, F.; Yin, X.; Pammer, F.; Cheng, F.; Fernandez, D.; Lalancette, R. A.; Jäkle, F.
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	22
Pages of publication	7831
a	10.7368 ± 0.0002 Å
b	11.2064 ± 0.0002 Å
c	14.9593 ± 0.0003 Å
α	90.977 ± 0.0008°
β	107.773 ± 0.0008°
γ	113.848 ± 0.0008°
Cell volume	1547.15 ± 0.05 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 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	0.021
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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