Information card for entry 7232856

Structure parameters

• Formula: C42 H46 N2 O4
• Calculated formula: C42 H46 N2 O4
• Title of publication: Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes
• Authors of publication: Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 30
• Pages of publication: 17035
• a: 7.451 ± 0.005 Å
• b: 8.965 ± 0.005 Å
• c: 14.802 ± 0.012 Å
• α: 78.46 ± 0.05°
• β: 84.78 ± 0.05°
• γ: 63.33 ± 0.04°
• Cell volume: 865.7 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No