Information card for entry 1100249

Structure parameters

• Chemical name: 7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one
• Formula: C21 H29 N O3
• Calculated formula: C21 H29 N O3
• SMILES: O=C1N([C@H]2C=C[C@@H]1[C@H]1C[C@@H]2C=C1)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Enantioselective Photochemical Reactions of 2-Pyridones in Solution
• Authors of publication: Bach, Thorsten; Bergmann, Hermann; Harms, Klaus
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 601 - 603
• a: 7.2624 ± 0.0004 Å
• b: 8.541 ± 0.0005 Å
• c: 30.4681 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1889.88 ų
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 3.44
• Weighted residual factors for significantly intense reflections: 3.44
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No