Information card for entry 7102081

Structure parameters

• Formula: C230 H299 N24 O3.5
• Calculated formula: C230 H264 N24 O3.5
• Title of publication: Two distinct anion-binding modes and their relative stabilities
• Authors of publication: Kim, Nam-Kyun; Chang, Kyoung-Jin; Moon, Dohyun; Lah, Myoung Soo; Jeong, Kyu-Sung
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3401 - 3403
• a: 22.506 ± 0.005 Å
• b: 22.564 ± 0.005 Å
• c: 22.614 ± 0.005 Å
• α: 65.145 ± 0.005°
• β: 85.503 ± 0.005°
• γ: 80.707 ± 0.005°
• Cell volume: 10283 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No