Information card for entry 4115615

Structure parameters

• Formula: C27 H31 N O5
• Calculated formula: C27 H31 N O5
• SMILES: N1(c2ccccc2[C@]2(O[C@@H](OC)[C@H]3[C@@]12CC[C@H](OCc1ccccc1)C3)CC=C)C(=O)OC.N1(c2ccccc2[C@@]2(O[C@H](OC)[C@@H]3[C@]12CC[C@@H](OCc1ccccc1)C3)CC=C)C(=O)OC
• Title of publication: Total Synthesis of the Kopsialapidilecta Alkaloid (\±)-Lapidilectine B
• Authors of publication: William H. Pearson; Yuan Mi; Ill Young Lee; Patrick Stoy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6724 - 6725
• a: 8.9289 ± 0.0005 Å
• b: 14.1467 ± 0.0008 Å
• c: 18.5624 ± 0.0011 Å
• α: 90°
• β: 99.235 ± 0.001°
• γ: 90°
• Cell volume: 2314.3 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 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: 0.1931
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections: 0.1606
• Weighted residual factors for significantly intense reflections: 0.1272
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No