Information card for entry 1553687

Structure parameters

• Formula: C29 H23 N3 O2
• Calculated formula: C29 H23 N3 O2
• SMILES: O=C1N(C(=O)c2c1c1ccc3ccnc4c3c1c1c3c4nccc3ccc21)C(CCC)CCC
• Title of publication: Control of the electrochemical and photophysical properties of N-substituted benzo[ghi]perylene derivatives
• Authors of publication: Tokuo, Kokichi; Sakai, Hayato; Sakanoue, Tomo; Takenobu, Taishi; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 2299
• a: 7.3698 ± 0.0002 Å
• b: 10.7294 ± 0.0003 Å
• c: 27.0518 ± 0.0009 Å
• α: 90°
• β: 90.5158 ± 0.0009°
• γ: 90°
• Cell volume: 2138.99 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No