Crystallography Open Database

Information card for entry 7048418

Preview

Coordinates	7048418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 B O2
Calculated formula	C28 H39 B O2
Title of publication	Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.
Authors of publication	John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1871 - 1877
a	6.1626 ± 0.0005 Å
b	12.0463 ± 0.001 Å
c	18.6987 ± 0.0015 Å
α	107.075 ± 0.006°
β	94.331 ± 0.006°
γ	101.872 ± 0.006°
Cell volume	1284.78 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0645
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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