Information card for entry 7157368

Structure parameters

• Formula: C30 H23 N5 O4
• Calculated formula: C30 H23 N5 O4
• Title of publication: Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.
• Authors of publication: Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2274 - 2282
• a: 15.1789 ± 0.0004 Å
• b: 11.1406 ± 0.0003 Å
• c: 15.2829 ± 0.0005 Å
• α: 90°
• β: 96.945 ± 0.003°
• γ: 90°
• Cell volume: 2565.41 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No