Information card for entry 7064296

Structure parameters

• Formula: C76 H72 N8 O8
• Calculated formula: C76 H72 N8 O8
• Title of publication: Synthesis and crystal structure of a [2+4]-type organic cage based on calix[4]arene
• Authors of publication: Kishimoto, Yuto; Katagiri, Hiroshi; Yamada, Manabu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 3450 - 3456
• a: 10.541 ± 0.0004 Å
• b: 15.7908 ± 0.0005 Å
• c: 16.3627 ± 0.0007 Å
• α: 108.584 ± 0.003°
• β: 102.988 ± 0.003°
• γ: 105.227 ± 0.003°
• Cell volume: 2345 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1539
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.289
• Weighted residual factors for all reflections included in the refinement: 0.3154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No