Information card for entry 4114382

Structure parameters

• Common name: cellulose
• Formula: C12 H24 O10
• Calculated formula: C12 H14 O10
• Title of publication: Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction
• Authors of publication: Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14300 - 14306
• a: 10.4 ± 0.01 Å
• b: 6.717 ± 0.006 Å
• c: 5.962 ± 0.007 Å
• α: 80.37 ± 0.05°
• β: 118.08 ± 0.05°
• γ: 114.8 ± 0.05°
• Cell volume: 333.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1867
• Residual factor for significantly intense reflections: 0.1779
• Weighted residual factors for significantly intense reflections: 0.4296
• Weighted residual factors for all reflections included in the refinement: 0.4353
• Goodness-of-fit parameter for all reflections included in the refinement: 2.408
• Diffraction radiation wavelength: 0.7206 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No