Information card for entry 2021873

Structure parameters

• Chemical name: Diisopropylammonium-Diphenylmethylnitronate
• Formula: C19 H26 N2 O2
• Calculated formula: C19 H26 N2 O2
• SMILES: N(=O)([O-])=C(c1ccccc1)c1ccccc1.[NH2+](C(C)C)C(C)C
• Title of publication: Diisopropylammonium diphenylmethylnitronate at 200K
• Authors of publication: Sievert, M.; Nagel, N.; Bock, H.; Dienelt, R.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1147
• a: 9.198 ± 0.001 Å
• b: 10.559 ± 0.001 Å
• c: 10.593 ± 0.001 Å
• α: 68.94 ± 0.01°
• β: 79.01 ± 0.01°
• γ: 67.41 ± 0.01°
• Cell volume: 884.78 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.0965
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No