Information card for entry 2311805

Structure parameters

• Formula: C14 H26 N2 O9
• Calculated formula: C14 H26 N2 O9
• Title of publication: Non-covalent interactions in the multicomponent crystal of 1-aminocyclopentane carboxylic acid, oxalic acid and water: a crystallographic and a theoretical approach.
• Authors of publication: Mora, Asiloé J; Belandria, Lusbely M.; Delgado, Gerzon E.; Seijas, Luis E.; Lunar, Angel; Almeida, Rafael
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 968 - 980
• a: 17.283 ± 0.003 Å
• b: 5.7371 ± 0.0008 Å
• c: 18.561 ± 0.003 Å
• α: 90°
• β: 108.274 ± 0.004°
• γ: 90°
• Cell volume: 1747.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No