Information card for entry 1511926

Structure parameters

• Formula: C23 H28 O5
• Calculated formula: C23 H28 O5
• SMILES: O=CC1=C[C@H]2[C@@H]([C@@]3([C@H]1[C@H](OC(=O)c1c(O)cc(O)cc1C)C3)C)CC(C2)(C)C
• Title of publication: A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.
• Authors of publication: Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1934 - 1937
• a: 8.1747 ± 0.0002 Å
• b: 13.5827 ± 0.0004 Å
• c: 18.6882 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2075.03 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No