Information card for entry 4503352

Structure parameters

• Formula: C55 H89 Br N2 O8
• Calculated formula: C55 H89 Br N2 O8
• Title of publication: Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests
• Authors of publication: Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1013
• a: 7.4504 ± 0.0007 Å
• b: 25.4993 ± 0.0018 Å
• c: 13.4933 ± 0.0015 Å
• α: 90°
• β: 90.036 ± 0.004°
• γ: 90°
• Cell volume: 2563.5 ± 0.4 ų
• Cell temperature: 203.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.3748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No