Information card for entry 4033911

Structure parameters

• Formula: C24 H25 N O7 S
• Calculated formula: C24 H25 N O7 S
• SMILES: C1=C[C@H](C[C@H]2[C@@]1([C@H](CN2S(=O)(=O)c1ccc(cc1)C)OC(=O)C)c1ccc2OCOc2c1)O
• Title of publication: Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.
• Authors of publication: Lan, Ping; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3431 - 3466
• a: 9.9367 ± 0.0003 Å
• b: 9.0913 ± 0.0002 Å
• c: 13.3553 ± 0.0005 Å
• α: 90°
• β: 109.642 ± 0.0015°
• γ: 90°
• Cell volume: 1136.28 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No