Information card for entry 2023600

Structure parameters

• Chemical name: 2-(Dimethoxymethyl)phenyl (3a<i>RS</i>,6<i>SR</i>,7<i>RS</i>,7a<i>SR</i>)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-(dimethoxymethyl)phenyl (3aRS,6SR,7RS,7aSR)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
• Authors of publication: Maslova, Viktoria S.; Shadyan, Dayana D.; Khrustalev, Victor N.; Mahmudov, Ibadulla H.; Akkurt, Mehmet; Woldemariam, Menberu Mengesha; Hasanov, Khudayar I.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 11
• a: 8.462 ± 0.0001 Å
• b: 13.681 ± 0.0017 Å
• c: 9.569 ± 0.0013 Å
• α: 90°
• β: 115.731 ± 0.006°
• γ: 90°
• Cell volume: 997.94 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7517 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No