Information card for entry 2102042

Structure parameters

• Common name: b-cyclodextrin + 1,12-dodecanedioic acid complex
• Chemical name: cyclomaltoheptaose + 1,12-dodecanedioic acid inclusion complex
• Formula: C98.32 H223.88 O102.63
• Calculated formula: C98.32 H176.43 O102.65
• Title of publication: Structure of the inclusion complex of β-cyclodextrin with 1,12-dodecanedioic acid using synchrotron radiation data; a detailed dimeric β-cyclodextrin structure
• Authors of publication: Makedonopoulou, Stella; Mavridis, Irene M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 322 - 331
• a: 18.153 ± 0.007 Å
• b: 15.456 ± 0.008 Å
• c: 15.251 ± 0.004 Å
• α: 102.81 ± 0.02°
• β: 113.13 ± 0.019°
• γ: 99.9 ± 0.03°
• Cell volume: 3674 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No