Information card for entry 7118146

Structure parameters

• Formula: C24 H30 N3 Na O8
• Calculated formula: C24 H30 N3 Na O8
• SMILES: [nH]1cccc1c1cc(N(=O)=O)cc(c1[O-])c1[nH]ccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[Na]2345
• Title of publication: Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.
• Authors of publication: Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 99
• Pages of publication: 17572 - 17575
• a: 7.916 ± 0.003 Å
• b: 16.599 ± 0.006 Å
• c: 18.426 ± 0.006 Å
• α: 90°
• β: 94.92 ± 0.006°
• γ: 90°
• Cell volume: 2412.2 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No