Information card for entry 1520235

Structure parameters

• Chemical name: Adipic acid & morpholine
• Formula: C14 H28 N2 O6
• Calculated formula: C14 H28 N2 O6
• SMILES: [O-]C(=O)CCCCC(=O)[O-].O1CC[NH2+]CC1.O1CC[NH2+]CC1
• Title of publication: Dimorpholinium adipate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 465
• a: 5.8219 ± 0.0003 Å
• b: 7.4643 ± 0.0006 Å
• c: 9.8058 ± 0.0007 Å
• α: 79.046 ± 0.003°
• β: 77.621 ± 0.004°
• γ: 81.676 ± 0.004°
• Cell volume: 406.22 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.3577
• Weighted residual factors for all reflections included in the refinement: 0.3773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No