Information card for entry 4034787

Structure parameters

• Formula: C30 H35 N O5
• Calculated formula: C30 H35 N O5
• SMILES: O[C@H]1[C@@H](N2[C@H]([C@@H]1O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1)C
• 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: 13.3461 ± 0.0002 Å
• b: 5.1418 ± 0.0001 Å
• c: 19.3686 ± 0.0002 Å
• α: 90°
• β: 97.7303 ± 0.0012°
• γ: 90°
• Cell volume: 1317.05 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No