Information card for entry 7245723

Structure parameters

• Formula: C29 H19 N3
• Calculated formula: C29 H19 N3
• Title of publication: Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals
• Authors of publication: Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.7668 ± 0.0017 Å
• b: 14.431 ± 0.0016 Å
• c: 11.6963 ± 0.0018 Å
• α: 90°
• β: 104.463 ± 0.012°
• γ: 90°
• Cell volume: 2086.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.2329
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No