Information card for entry 4505023

Structure parameters

• Chemical name: 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylic acid
• Formula: C8 H13 N O2
• Calculated formula: C8 H13 N O2
• SMILES: [NH3+][C@H]1[C@H]([C@@H]2CC[C@H]1C2)C(=O)[O-].[NH3+][C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)C(=O)[O-]
• Title of publication: Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers
• Authors of publication: Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 773
• a: 23.387 ± 0.001 Å
• b: 6.654 ± 0.001 Å
• c: 10.007 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CUkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No