Information card for entry 4504635

Structure parameters

• Chemical name: 1-dimethylammonium,8-dimethylaminonaphthalene ororate
• Formula: C19 H22 N4 O4
• Calculated formula: C19 H22 N4 O4
• SMILES: O=C1NC(=CC(=O)N1)C(=O)[O-].N(c1cccc2c1c([NH+](C)C)ccc2)(C)C
• Title of publication: The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1
• Authors of publication: Nichol, Gary S.; Clegg, William
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 451
• a: 25.641 ± 0.007 Å
• b: 11.581 ± 0.002 Å
• c: 27.303 ± 0.008 Å
• α: 90°
• β: 106.598 ± 0.016°
• γ: 90°
• Cell volume: 7770 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No