Information card for entry 7214764

Structure parameters

• Formula: C10 H13 N O6
• Calculated formula: C10 H13 N O6
• Title of publication: Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal
• Authors of publication: Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7458
• a: 6.1165 ± 0.0008 Å
• b: 7.466 ± 0.0012 Å
• c: 12.9602 ± 0.0017 Å
• α: 86.758 ± 0.005°
• β: 76.883 ± 0.004°
• γ: 70.706 ± 0.005°
• Cell volume: 543.91 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No