Information card for entry 4507474

Structure parameters

• Common name: cis-4-aminocyclohexanecarboxylic acid
• Chemical name: cis-4-ammoniocyclohexanecarboxylate
• Formula: C7 H13 N O2
• Calculated formula: C7 H13 N O2
• SMILES: [O-]C(=O)[C@H]1CC[C@@H]([NH3+])CC1
• Title of publication: Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid
• Authors of publication: Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1849
• a: 13.5616 ± 0.00023 Å
• b: 6.24896 ± 0.0001 Å
• c: 9.80579 ± 0.00018 Å
• α: 90°
• β: 112.2 ± 0.0011°
• γ: 90°
• Cell volume: 769.4 ± 0.02 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 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
• RFsqd: 0.11244
• Goodness-of-fit parameter for all reflections: 2.71
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.334971 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No