Information card for entry 7213053

Structure parameters

• Chemical name: 5,17-Bis(9H-Carbazol-9-yl)-25,26,27,28-tetrapropoxycalixarene
• Formula: C64 H62 N2 O4
• Calculated formula: C64 H62 N2 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: 13.047 ± 0.003 Å
• b: 14.178 ± 0.003 Å
• c: 15.207 ± 0.003 Å
• α: 115.31 ± 0.03°
• β: 96.69 ± 0.03°
• γ: 95.82 ± 0.03°
• Cell volume: 2489.6 ± 1.2 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: 0.0931
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No