Information card for entry 1506223

Structure parameters

• Chemical name: 4-methyl-pyran-2-one annulated tetrahelicenes RI-2
• Formula: C22 H14 O2
• Calculated formula: C22 H14 O2
• SMILES: o1c(=O)cc(c2cc3c(c4c5c(cccc5)ccc4cc3)cc12)C
• Title of publication: Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.
• Authors of publication: Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4891 - 4894
• a: 7.885 ± 0.005 Å
• b: 26.061 ± 0.005 Å
• c: 7.474 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.659 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1427.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1068
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No