Information card for entry 1504704

Structure parameters

• Formula: C19 H26 O2
• Calculated formula: C19 H26 O2
• SMILES: [C@]123C(=C[C@](CC1=CCO3)(C=C2C=O)C(C)(C)C)C(C)(C)C.[C@@]123C(=C[C@@](CC1=CCO3)(C=C2C=O)C(C)(C)C)C(C)(C)C
• Title of publication: Photochemistry of allenyl salicylaldehydes.
• Authors of publication: Birbaum, Frédéric; Neels, Antonia; Bochet, Christian G.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3175 - 3178
• a: 14.004 ± 0.003 Å
• b: 6.9416 ± 0.0008 Å
• c: 18.083 ± 0.004 Å
• α: 90°
• β: 110.82 ± 0.02°
• γ: 90°
• Cell volume: 1643.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No