Information card for entry 7113294

Structure parameters

• Formula: C82 H102 N8
• Calculated formula: C82 H84 N8
• 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: 18.459 ± 0.004 Å
• b: 17.029 ± 0.003 Å
• c: 12.014 ± 0.002 Å
• α: 90°
• β: 103.43 ± 0.03°
• γ: 90°
• Cell volume: 3673.2 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.2885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7102082
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No