Information card for entry 1552645

Structure parameters

• Formula: C26 H33 N O5
• Calculated formula: C26 H33 N O5
• SMILES: O1[C@@H]2[C@H](N3[C@H]([C@@H]2OC1(C)C)[C@@H](O)[C@H](OCc1ccccc1)[C@H]3COCc1ccccc1)C
• Title of publication: Corrected Structure of Natural Hyacinthacine C₁ via Total Synthesis.
• Authors of publication: Carroll, Anthony W.; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 358 - 367
• a: 5.9344 ± 0.0001 Å
• b: 16.577 ± 0.0001 Å
• c: 11.6353 ± 0.0001 Å
• α: 90°
• β: 90.565 ± 0.0008°
• γ: 90°
• Cell volume: 1144.56 ± 0.02 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: 0.0334
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No