Information card for entry 2237255

Structure parameters

• Chemical name: 1,5-Bis(piperidin-1-yl)-9,10-anthraquinone
• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: O=C1c2cccc(c2C(=O)c2c1c(ccc2)N1CCCCC1)N1CCCCC1
• Title of publication: 1,5-Bis(piperidin-1-yl)-9,10-anthraquinone
• Authors of publication: Niedziałkowski, Paweł; Wnuk, Elżbieta; Wcisło, Anna; Trzybiński, Damian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o110
• a: 10.9115 ± 0.0004 Å
• b: 7.0127 ± 0.0002 Å
• c: 12.5984 ± 0.0005 Å
• α: 90°
• β: 97.819 ± 0.004°
• γ: 90°
• Cell volume: 955.06 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes