Information card for entry 1552441

Structure parameters

• Chemical name: TPHAP
• Formula: C22 H13 N9
• Calculated formula: C22 H13 N9
• SMILES: c1cc(ccn1)c1[nH]c2c3c(nc(c4ccncc4)n2)nc(c2ccncc2)nc3n1
• Title of publication: Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory
• Authors of publication: Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 21.083 ± 0.003 Å
• b: 7.043 ± 0.0009 Å
• c: 23.465 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3484.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No