Information card for entry 2227349

Structure parameters

• Chemical name: 2,9-Di-3-pentylanthra[1,9-<i>def</i>:6,5,10-<i>d</i>'<i>e</i>'<i>f</i>'] diisoquinoline-1,3,8,10-tetrone
• Formula: C34 H30 N2 O4
• Calculated formula: C34 H30 N2 O4
• Title of publication: 2,9-Di-3-pentylanthra[1,9-<i>def</i>:6,5,10-<i>d</i>'<i>e</i>'<i>f</i>']diisoquinoline-1,3,8,10-tetrone
• Authors of publication: Maniukiewicz, Waldemar; Bojarska, Joanna; Olczak, Andrzej; Dobruchowska, Ewa; Wiatrowski, Michał
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2570 - o2571
• a: 34.009 ± 0.004 Å
• b: 7.5035 ± 0.001 Å
• c: 21.248 ± 0.003 Å
• α: 90°
• β: 100.562 ± 0.002°
• γ: 90°
• Cell volume: 5330.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes