Information card for entry 7161035

Structure parameters

• Chemical name: Azacalix dipyrromethane
• Formula: C38 H42 N8 O5
• Calculated formula: C38 H42 N8 O5
• Title of publication: New core-expanded calix[4]pyrroles and N-donor-extended dipyrromethanes: syntheses, anion binding and conformational studies.
• Authors of publication: Mishra, Soumya; Giri, Monalisa; Mishra, Vipin Kumar; Guchhait, Tapas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 708 - 719
• a: 30.3406 ± 0.0009 Å
• b: 10.6824 ± 0.0003 Å
• c: 21.556 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6986.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No