Information card for entry 4114383

Structure parameters

• Common name: cellulose
• Formula: C12 H14 D10 O6
• Calculated formula: C12 H14 D6 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 ± 0.0005 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 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.205
• Residual factor for significantly intense reflections: 0.2049
• Weighted residual factors for significantly intense reflections: 0.4566
• Weighted residual factors for all reflections included in the refinement: 0.4566
• Goodness-of-fit parameter for all reflections included in the refinement: 2.688
• Diffraction radiation wavelength: 1.3058 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No