Information card for entry 7118144

Structure parameters

• Formula: C30 H46 N4 O3
• Calculated formula: C30 H46 N4 O3
• SMILES: [O-]c1c(c2[nH]ccc2)cc(N(=O)=O)cc1c1[nH]ccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 18.1094 ± 0.0017 Å
• b: 8.5397 ± 0.0008 Å
• c: 19.1583 ± 0.0017 Å
• α: 90°
• β: 105.39 ± 0.005°
• γ: 90°
• Cell volume: 2856.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.15
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No