Information card for entry 1556258

Structure parameters

• Common name: froab01
• Formula: C27 H33 N O5 S
• Calculated formula: C27 H33 N O5 S
• SMILES: S(=O)(=O)(n1c2C(=O)[C@@]3([C@@H](c2cc1CCCCCC=CC3)C(C)C)C(=O)OC)c1ccc(cc1)C.S(=O)(=O)(n1c2C(=O)[C@]3([C@H](c2cc1CCCCCC=CC3)C(C)C)C(=O)OC)c1ccc(cc1)C
• Title of publication: Formal synthesis of (+/-)-roseophilin.
• Authors of publication: Bitar, Abdallah Y.; Frontier, Alison J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 15.64 ± 0.002 Å
• b: 15.55 ± 0.002 Å
• c: 20.474 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4979.3 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No