Information card for entry 8000051

Structure parameters

• Formula: C2 H2 Ca O4
• Calculated formula: C2 Ca O5
• Title of publication: Raphide Crystal Structure in Agave Tequilana Determined by X-ray Originating from Synchrotron Radiation
• Authors of publication: Makoto Tadokoro; Yoshiki Ozawa; Minoru Mitsumi; Kohshiro Toriumi; Tetsuya Ogura
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 236
• a: 10.09 ± 0.002 Å
• b: 14.549 ± 0.004 Å
• c: 6.27 ± 0.003 Å
• α: 90°
• β: 109.53 ± 0.02°
• γ: 90°
• Cell volume: 867.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.6165 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No