Information card for entry 7061624

Structure parameters

• Formula: C28 H29 N O4
• Calculated formula: C28 H29 N O4
• SMILES: O=C1c2ccccc2C(=O)C21N1[C@@H](C[C@@]32C(=O)O[C@H]2[C@H]3CCC(=C)[C@H]3[C@@H]2C(=C)CC3)CCC1
• Title of publication: Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions
• Authors of publication: Zhang, Lei; Quan, Wei; Liu, Ren-Ming; Tian, You-Ping; Pan, Bo-Wen; Liu, Xiong-Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 11975 - 11979
• a: 8.1259 ± 0.0002 Å
• b: 8.1259 ± 0.0002 Å
• c: 67.712 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4471 ± 0.2 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No