Information card for entry 1507531

Structure parameters

• Chemical name: phenyl (1S^*^,3S^*^,10S^*^)-2,8-diaza-3-(2-methylpropyl)-5-oxo-8- (phenoxycarbonyl)-tetracyclo[8.2.2.0^1,6^.0^7,12^]tetradecane-2- carboxylate
• Formula: C30 H34 N2 O5
• Calculated formula: C30 H34 N2 O5
• SMILES: O=C1[C@H]2[C@]3(N([C@H](C1)CC(C)C)C(=O)Oc1ccccc1)CC[C@H]1C[C@@H]3[C@@H]2N(C1)C(=O)Oc1ccccc1.O=C1[C@@H]2[C@@]3(N([C@@H](C1)CC(C)C)C(=O)Oc1ccccc1)CC[C@@H]1C[C@H]3[C@H]2N(C1)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: 8.6581 ± 0.0004 Å
• b: 9.705 ± 0.0004 Å
• c: 16.1393 ± 0.0008 Å
• α: 100.945 ± 0.006°
• β: 94.908 ± 0.006°
• γ: 97.909 ± 0.004°
• Cell volume: 1310.08 ± 0.11 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No