Information card for entry 2238609

Structure parameters

• Chemical name: Dipentyl 2,6-diaminobenzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran-3,7-dicarboxylate
• Formula: C22 H28 N2 O6
• Calculated formula: C22 H28 N2 O6
• SMILES: CCCCCOC(=O)c1c(N)oc2c1cc1oc(c(c1c2)C(=O)OCCCCC)N
• Title of publication: Dipentyl 2,6-diaminobenzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran-3,7-dicarboxylate
• Authors of publication: Roviello, Giuseppina; Borbone, Fabio; Carella, Antonio; Roviello, Giovanni N.; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1526 - o1527
• a: 8.267 ± 0.001 Å
• b: 7.994 ± 0.001 Å
• c: 17.582 ± 0.003 Å
• α: 90°
• β: 98.98 ± 0.02°
• γ: 90°
• Cell volume: 1147.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1598
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No