Information card for entry 7130931

Structure parameters

• Formula: C17 H22 O
• Calculated formula: C17 H22 O
• SMILES: O=C1[C@H]2[C@](C([C@@H]2C)(C)C)(CCC1)c1ccccc1.O=C1[C@@H]2[C@@](C([C@H]2C)(C)C)(CCC1)c1ccccc1
• Title of publication: From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition
• Authors of publication: Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.7574 ± 0.0005 Å
• b: 6.6603 ± 0.0002 Å
• c: 14.4105 ± 0.0005 Å
• α: 90°
• β: 102.29 ± 0.001°
• γ: 90°
• Cell volume: 1383.93 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No