Information card for entry 4516785

Structure parameters

• Common name: 6-AH-235
• Chemical name: 6-AH-235
• Formula: C58 H90.76 N2 O18.38
• Calculated formula: C58 H90.764 N2 O18.382
• 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: 20.8804 ± 0.0007 Å
• b: 20.8804 ± 0.0007 Å
• c: 11.5639 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4366.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No