Information card for entry 7114084

Structure parameters

• Chemical name: 2,6-Dihydroxynaphthalene-Benzylamine 1:2 Complex
• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: C(N)c1ccccc1.c12ccc(O)cc1ccc(O)c2.c1(ccccc1)CN
• Title of publication: Novel solid-state polycondensation I. Oxidative-coupling polymerization of 2,6-dihydroxynaphthaleneElectric supplementary information (ESI) available: experimental procedures, 1H, 13C NMR and IR spectra of the acetylated polymer, crystal data of 2,6-DHN‒benzylamine complex, and 3D graphics of the polymer models and of the crystal cells (2,6-DHN and its benzylamine complex). See http://www.rsc.org/suppdata/cc/b1/b107738d/
• Authors of publication: Suzuki, Masato; Yatsugi, Yutaka
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 162
• a: 7.649 ± 0.0006 Å
• b: 13.7087 ± 0.0017 Å
• c: 9.7362 ± 0.0013 Å
• α: 90°
• β: 106.118 ± 0.002°
• γ: 90°
• Cell volume: 980.79 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No