Crystallography Open Database

Information card for entry 1502190

Preview

Coordinates	1502190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 B2 N O6
Calculated formula	C35 H51 B2 N O6
Title of publication	2,5,8,11-Tetraboronic ester perylenediimides: a next generation building block for dye-stuff synthesis.
Authors of publication	Battagliarin, Glauco; Li, Chen; Enkelmann, Volker; Müllen, Klaus
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	3012 - 3015
a	12.9107 ± 0.0004 Å
b	15.5761 ± 0.0004 Å
c	17.5681 ± 0.0004 Å
α	90°
β	94.303 ± 0.0015°
γ	90°
Cell volume	3522.96 ± 0.16 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.069
Weighted residual factors for all reflections	0.0961
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.0304
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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