Information card for entry 1506115

Structure parameters

• Formula: C21 H28 Cl N O3
• Calculated formula: C21 H28 Cl N O3
• SMILES: Cl[C@@H]1[C@]2([C@H]3C4=CC[C@@H]([C@@]54C(=O)N([C@@]43COC[C@]24O[C@H]15)C(C)C)C(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: 7.346 ± 0.0008 Å
• b: 15.884 ± 0.002 Å
• c: 16.299 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1901.8 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No