Information card for entry 1506114

Structure parameters

• Formula: C20 H27 N O5
• Calculated formula: C20 H27 N O5
• SMILES: [C@@H]1(CC(=O)[C@H]2[C@@]1([C@H]1C=C([C@]3(COCC(=O)[C@H]23)O1)C)C(=O)NCC)C(C)C
• Title of publication: Novel reaction pathways for 2-pyridone [4+4] photoadducts.
• Authors of publication: Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3367 - 3370
• a: 8.4416 ± 0.0005 Å
• b: 8.4416 ± 0.0005 Å
• c: 24.5449 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.08 ± 0.18 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No