Information card for entry 7246119

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O=C(NCCCC)c1c2ccccc2cc2ccccc12
• Title of publication: Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state
• Authors of publication: Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1914 - 1922
• a: 9.7476 ± 0.00016 Å
• b: 9.04653 ± 0.00015 Å
• c: 34.1643 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3012.67 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No