Information card for entry 7236624

Structure parameters

• Formula: C30 H12 O4
• Calculated formula: C30 H12 O4
• Title of publication: Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide
• Authors of publication: Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 39
• Pages of publication: 20780
• a: 8.91 ± 0.002 Å
• b: 9.404 ± 0.002 Å
• c: 11.968 ± 0.002 Å
• α: 77.86 ± 0.03°
• β: 74.36 ± 0.03°
• γ: 67.64 ± 0.03°
• Cell volume: 886.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No