Information card for entry 1571760

Structure parameters

• Formula: C45 H24 O
• Calculated formula: C45 H24 O
• SMILES: c12c(c3c4c5c(c6c(c7c5c5c8c9c(ccc8ccc5cc7)cccc9)C(=O)c5c6cccc5)ccc4ccc3cc1)cccc2
• Title of publication: Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.
• Authors of publication: Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 9842 - 9850
• a: 10.6528 ± 0.0007 Å
• b: 13.9671 ± 0.0009 Å
• c: 18.2044 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2708.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No