Information card for entry 4518290

Structure parameters

• Formula: C30 H40 O4
• Calculated formula: C30 H40 O4
• Title of publication: 9,10-Anthraquinones Disubstituted with Linear Alkoxy Groups: Spectroscopy, Electrochemistry, and Peculiarities of Their 2D and 3D Supramolecular Organizations.
• Authors of publication: Maranda-Niedbała, Agnieszka; Krzyżewska, Klaudyna; Kotwica, Kamil; Skórka, Łukasz; Drapała, Jakub; Jarzembska, Katarzyna N.; Zagórska, Małgorzata; Proń, Adam; Nowakowski, Robert
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2020
• a: 16.9493 ± 0.0006 Å
• b: 8.1949 ± 0.0004 Å
• c: 4.6048 ± 0.0002 Å
• α: 81.744 ± 0.004°
• β: 93.137 ± 0.003°
• γ: 90.74 ± 0.003°
• Cell volume: 632.01 ± 0.05 ų
• Cell temperature: 94.9 ± 0.2 K
• Ambient diffraction temperature: 94.9 ± 0.2 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: 0.0607
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No