Information card for entry 2242626

Structure parameters

• Chemical name: (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>S</i>R)-5-Oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acid
• Formula: C24 H21 N O4
• Calculated formula: C24 H21 N O4
• Title of publication: IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids
• Authors of publication: Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1400 - 1404
• a: 8.1851 ± 0.0016 Å
• b: 11.025 ± 0.002 Å
• c: 11.795 ± 0.002 Å
• α: 99.14 ± 0.03°
• β: 92.51 ± 0.03°
• γ: 107.99 ± 0.03°
• Cell volume: 994.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.81182 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes