Information card for entry 7230490

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: 9.1533 ± 0.0004 Å
• b: 11.0888 ± 0.0004 Å
• c: 18.0746 ± 0.0007 Å
• α: 100.192 ± 0.003°
• β: 103.814 ± 0.004°
• γ: 90.08 ± 0.003°
• Cell volume: 1751.55 ± 0.13 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.1228
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No