Information card for entry 4034786

Structure parameters

• Formula: C24 H30.11 N O7.55
• Calculated formula: C24 H30.106 N O7.553
• SMILES: O[C@@H]1[C@H]2N([C@H]([C@@H]1O)C)C(=O)O[C@H]2[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1.O
• Title of publication: Total Synthesis of Natural Hyacinthacine C₅ and Six Related Hyacinthacine C₅ Epimers.
• Authors of publication: Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5558 - 5576
• a: 5.8947 ± 0.0001 Å
• b: 11.9409 ± 0.0001 Å
• c: 32.5277 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2289.56 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0012
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No