Crystallography Open Database

Information card for entry 1566140

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Coordinates	1566140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 B2 O6
Calculated formula	C32 H36 B2 O6
Title of publication	1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays
Authors of publication	Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide
Journal of publication	Tetrahedron
Year of publication	2020
Journal volume	76
Journal issue	51
Pages of publication	131299
a	12.5963 ± 0.0003 Å
b	14.7352 ± 0.0004 Å
c	16.1555 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2998.61 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.2729
Weighted residual factors for all reflections included in the refinement	0.2939
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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