Crystallography Open Database

Information card for entry 4031078

Preview

Coordinates	4031078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H14 Br4
Calculated formula	C28 H14 Br4
Title of publication	Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.
Authors of publication	Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	12
Pages of publication	6173 - 6192
a	21.7286 ± 0.0007 Å
b	7.9945 ± 0.0002 Å
c	13.6141 ± 0.0004 Å
α	90°
β	90.9662 ± 0.0012°
γ	90°
Cell volume	2364.56 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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