Information card for entry 7214320

Structure parameters

• Formula: C45 H61 N3 O8
• Calculated formula: C45 H61 N3 O8
• Title of publication: Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state
• Authors of publication: Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3758
• a: 11.0544 ± 0.0005 Å
• b: 11.9545 ± 0.0005 Å
• c: 17.4371 ± 0.0009 Å
• α: 109.915 ± 0.004°
• β: 100.321 ± 0.004°
• γ: 97.585 ± 0.004°
• Cell volume: 2084.53 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No