Information card for entry 2241925

Structure parameters

• Common name: Nonacyclo[14.6.6.6^5,12^.0^2,15^.0^4,13^.0^6,11^.0^17,22^.0^23,28^.0^29,34^]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29(34),30,32-tetradecaene-3,14-dione
• Chemical name: 5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione
• Formula: C34 H20 O2
• Calculated formula: C34 H20 O2
• Title of publication: Crystal structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione
• Authors of publication: Nozari, Mohammad; Jasinski, Jerry P.; Kaur, Manpreet; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1734 - 1738
• a: 10.3419 ± 0.0004 Å
• b: 11.7885 ± 0.0006 Å
• c: 19.2267 ± 0.0011 Å
• α: 77.606 ± 0.005°
• β: 89.306 ± 0.004°
• γ: 86.658 ± 0.004°
• Cell volume: 2285.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes