Information card for entry 2202539

Structure parameters

• Chemical name: Bis(diisopropylammonium) 2,6-naphthalenedicarboxylate
• Formula: C24 H38 N2 O4
• Calculated formula: C24 H38 N2 O4
• SMILES: C(=O)(c1cc2c(cc1)cc(C(=O)[O-])cc2)[O-].[NH2+](C(C)C)C(C)C.C(C)(C)[NH2+]C(C)C
• Title of publication: Bis(diisopropylammonium) 2,6-naphthalenedicarboxylate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1028 - o1029
• a: 7.8718 ± 0.0007 Å
• b: 8.5597 ± 0.0007 Å
• c: 10.1327 ± 0.0009 Å
• α: 67.749 ± 0.001°
• β: 88.179 ± 0.001°
• γ: 75.389 ± 0.001°
• Cell volume: 609.92 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes