Information card for entry 1507619

Structure parameters

• Common name: TL5-mullet
• Chemical name: sarpong25
• Formula: C19 H19 Br O5
• Calculated formula: C19 H19 Br O5
• SMILES: [C@H]12C[C@@H]3C(=O)[C@]1([C@H](CC[C@H]2C3)OC(=O)c1ccc(cc1)Br)C(=O)OC.[C@@H]12C[C@H]3C(=O)[C@@]1([C@@H](CC[C@@H]2C3)OC(=O)c1ccc(cc1)Br)C(=O)OC
• Title of publication: Synthesis of the bridging framework of phragmalin-type limonoids.
• Authors of publication: Lebold, Terry P.; Gallego, Gary M.; Marth, Christopher J.; Sarpong, Richmond
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2110 - 2113
• a: 11.8721 ± 0.0011 Å
• b: 13.221 ± 0.0012 Å
• c: 13.4918 ± 0.0012 Å
• α: 118.274 ± 0.002°
• β: 101.488 ± 0.002°
• γ: 102.795 ± 0.002°
• Cell volume: 1700.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No