Information card for entry 7159489

Structure parameters

• Formula: C24 H23 N3 O5
• Calculated formula: C24 H23 N3 O5
• SMILES: O1[C@H]2N(Cc3ccccc3)c3ccc(cc3[C@H](C2)c2c1n[nH]c2C(=O)OCC)C(=O)OC.O1[C@@H]2N(Cc3ccccc3)c3ccc(cc3[C@@H](C2)c2c1n[nH]c2C(=O)OCC)C(=O)OC
• Title of publication: Diastereoselective construction of carbo-bridged polyheterocycles by a three-component tandem annulation reaction.
• Authors of publication: Wang, Maorui; Zhang, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 31
• Pages of publication: 6342 - 6347
• a: 19.1728 ± 0.0005 Å
• b: 12.7276 ± 0.0003 Å
• c: 19.2357 ± 0.0006 Å
• α: 90°
• β: 117.121 ± 0.004°
• γ: 90°
• Cell volume: 4177.8 ± 0.2 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No