Information card for entry 7116354

Structure parameters

• Common name: 2,3dmatphmonomer
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: c1(/C=N/c2ccccc2)c(OC)c(c(cc1)/C=N/c1ccccc1)OC
• Title of publication: Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores
• Authors of publication: Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 310
• a: 15.715 ± 0.003 Å
• b: 12.1408 ± 0.0014 Å
• c: 9.9342 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.3453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No