Information card for entry 7062788

Structure parameters

• Chemical name: DK-CP-504
• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3
• SMILES: O1COc2c1ccc(c2)[C@H](CO)[C@H]1N(CCC1)[C@H](C)c1ccccc1
• Title of publication: Total synthesis of (−)-δ-lycorane
• Authors of publication: Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 18900 - 18904
• a: 5.8887 ± 0.0008 Å
• b: 8.3187 ± 0.0012 Å
• c: 9.4843 ± 0.0013 Å
• α: 108.948 ± 0.003°
• β: 94.92 ± 0.004°
• γ: 93.497 ± 0.004°
• Cell volume: 435.86 ± 0.11 ų
• Cell temperature: 423.15 K
• Ambient diffraction temperature: 423.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No