Information card for entry 4516782

Structure parameters

• Common name: CX-10-036
• Chemical name: CX-10-036
• Formula: C25 H33 N O8
• Calculated formula: C25 H33 N O8
• SMILES: [C@H]1(OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)CC(=O)O[C@]4([C@]3(O)CC[C@H](C)[C@H]4O)[C@@]2(O)C(=C1C(C)C)C
• Title of publication: Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.
• Authors of publication: Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.
• Journal of publication: ACS central science
• Year of publication: 2017
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 278 - 282
• a: 18.9642 ± 0.0008 Å
• b: 11.2161 ± 0.0004 Å
• c: 13.5628 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884.87 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No