Crystallography Open Database

Information card for entry 7043871

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Coordinates	7043871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H27 P
Calculated formula	C48 H27 P
SMILES	P(c1c2ccc3cccc4ccc(cc1)c2c34)(c1c2ccc3cccc4ccc(cc1)c2c34)c1c2ccc3cccc4ccc(cc1)c2c34
Title of publication	Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds
Authors of publication	Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.674 ± 0.0005 Å
b	13.0869 ± 0.0006 Å
c	13.1122 ± 0.0006 Å
α	97.647 ± 0.001°
β	113.555 ± 0.001°
γ	102.873 ± 0.001°
Cell volume	1733.99 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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