Information card for entry 7230496

Structure parameters

• Common name: DE2
• Chemical name: N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile
• Formula: C26 H30 N6
• Calculated formula: C26 H30 N6
• Title of publication: Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder
• Authors of publication: Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 2644
• a: 7.2349 ± 0.0009 Å
• b: 9.5192 ± 0.0015 Å
• c: 9.8308 ± 0.0018 Å
• α: 87.588 ± 0.014°
• β: 84.227 ± 0.012°
• γ: 70.714 ± 0.013°
• Cell volume: 635.79 ± 0.18 ų
• Cell temperature: 443 K
• Ambient diffraction temperature: 443 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.3135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No