Information card for entry 2209607

Structure parameters

• Chemical name: 2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile
• Formula: C23 H12 N4 O
• Calculated formula: C23 H12 N4 O
• SMILES: O(c1c(C=C2C(=C(C#N)C#N)c3c(C2=C(C#N)C#N)cccc3)cccc1)C
• Title of publication: 2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile
• Authors of publication: Palusiak, Marcin; Plażuk, Damian; Zakrzewski, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3052 - o3053
• a: 16.023 ± 0.007 Å
• b: 20.624 ± 0.005 Å
• c: 5.493 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1815 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes