Information card for entry 7151400

Structure parameters

• Common name: PNOX
• Formula: C24 H19 N O5
• Calculated formula: C24 H19 N O5
• SMILES: O1N([C@H](C[C@@]21OC(=O)c1c2cccc1)C(=O)c1ccc(cc1)OC)c1ccccc1.O1N([C@@H](C[C@]21OC(=O)c1c2cccc1)C(=O)c1ccc(cc1)OC)c1ccccc1
• Title of publication: Spiroheterocycles from reaction of nitrones with methylene-γ-butyrolactones and some of their rearrangements
• Authors of publication: Christophe Roussel; Rachid Fihi; Kabula Ciamala; Joël Vebrel; Touria Zair; Claude Riche
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 15
• Pages of publication: 2689 - 2698
• a: 9.726 ± 0.003 Å
• b: 18.482 ± 0.005 Å
• c: 11.049 ± 0.003 Å
• α: 90°
• β: 102.86 ± 0.03°
• γ: 90°
• Cell volume: 1936.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No