Information card for entry 1507530

Structure parameters

• Chemical name: phenyl (5S^*^,7^*^,10S^*^)-6,13-diaza-3-hydroxy-5-(2-methylpropyl)-13- (phenoxycarbonyl)-pentacyclo[8.2.2.0^1,3^.0^2,7^.0^7,12^]tetradecane- 6-carboxylate
• Formula: C30 H34 N2 O5
• Calculated formula: C30 H34 N2 O5
• SMILES: O[C@]12[C@]34N(C[C@@H]5C[C@H]3[C@@](N([C@H](C1)CC(C)C)C(=O)Oc1ccccc1)(CC5)[C@H]24)C(=O)Oc1ccccc1.O[C@@]12[C@@]34N(C[C@H]5C[C@@H]3[C@](N([C@@H](C1)CC(C)C)C(=O)Oc1ccccc1)(CC5)[C@@H]24)C(=O)Oc1ccccc1
• Title of publication: Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine
• Authors of publication: Comins, Daniel L.; Williams, Alfred L.
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 3217
• a: 12.5856 ± 0.0012 Å
• b: 9.9628 ± 0.0015 Å
• c: 20.218 ± 0.002 Å
• α: 90°
• β: 92.877 ± 0.013°
• γ: 90°
• Cell volume: 2531.9 ± 0.5 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 K
• Number of distinct elements: 4
• 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: 0.055
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No