Information card for entry 1504260

Structure parameters

• Formula: C24 H27 N O6
• Calculated formula: C24 H27 N O6
• SMILES: N1(C(=O)[C@@H]2c3c(cccc13)[C@]1([C@@H]3O[C@H]([C@@H]1C(=O)OCC)C=C3C2(C)C)C(=O)OCC)C.N1(C(=O)[C@H]2c3c(cccc13)[C@@]1([C@H]3O[C@@H]([C@H]1C(=O)OCC)C=C3C2(C)C)C(=O)OCC)C
• Title of publication: Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction.
• Authors of publication: Brailsford, John A.; Lauchli, Ryan; Shea, Kenneth J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5330 - 5333
• a: 9.1287 ± 0.0008 Å
• b: 17.9478 ± 0.0015 Å
• c: 13.3841 ± 0.0011 Å
• α: 90°
• β: 105.166 ± 0.002°
• γ: 90°
• Cell volume: 2116.5 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No