Information card for entry 1516345

Structure parameters

• Formula: C32 H52 N4 O20
• Calculated formula: C32 H52 N4 O20
• Title of publication: Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.
• Authors of publication: Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa
• Journal of publication: Biomacromolecules
• Year of publication: 2009
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 1100 - 1105
• a: 4.715 ± 0.019 Å
• b: 18.77 ± 0.005 Å
• c: 10.333 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 914 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2553
• Residual factor for significantly intense reflections: 0.2505
• Weighted residual factors for significantly intense reflections: 0.5324
• Weighted residual factors for all reflections included in the refinement: 0.5374
• Goodness-of-fit parameter for all reflections included in the refinement: 2.453
• Diffraction radiation wavelength: 0.7293 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No