Information card for entry 7213052

Structure parameters

• Chemical name: 5,17-bis(1-naphthyl)-25,26,27,28-tetrapropoxycalixarene
• Formula: C62 H63 N O4
• Calculated formula: C61 H61.5 N0.5 O4
• Title of publication: Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of π‒π interactions on the molecular structure
• Authors of publication: Larsen, Mogens; Krebs, Frederik C.; Harrit, Niels; Jørgensen, Mikkel
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 1749
• a: 10.854 ± 0.002 Å
• b: 12.946 ± 0.003 Å
• c: 19.085 ± 0.004 Å
• α: 109.39 ± 0.03°
• β: 98.08 ± 0.03°
• γ: 99.64 ± 0.03°
• Cell volume: 2437.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1252
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No