Information card for entry 1549701

Structure parameters

• Formula: C34 H30 Cl N O
• Calculated formula: C34 H30 Cl N O
• SMILES: ClC12C3(C4([C@H]5[C@@H]1CC[C@@H]2[C@@H]4CC5)c1ccc(N(c2ccccc2)c2ccccc2)cc1)C=CC(=O)C=C3
• Title of publication: A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer.
• Authors of publication: Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 1157 - 1168
• a: 9.6998 ± 0.0006 Å
• b: 20.0864 ± 0.0013 Å
• c: 13.8561 ± 0.0009 Å
• α: 90°
• β: 107.551 ± 0.0015°
• γ: 90°
• Cell volume: 2574 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No