Information card for entry 1506707

Structure parameters

• Common name: 15
• Chemical name: 7,14,22,29-tetraaza-1,5,16,20-tetrachloro-31,31,32,32-tetramethoxynonacyclo [18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28] dotriacontane-6(15),8,9,11,14,21(30),23,24,26,28,29-decaene.
• Formula: C32 H28 Cl4 N4 O4
• Calculated formula: C32 H28 Cl4 N4 O4
• SMILES: Cl[C@@]12c3nc4ccccc4nc3[C@@](Cl)(C1(OC)OC)[C@H]1[C@@H]2C[C@H]2[C@@]3(Cl)c4nc5ccccc5nc4[C@](Cl)(C3(OC)OC)[C@H]2C1
• Title of publication: Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.
• Authors of publication: Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4843 - 4846
• a: 20.395 ± 0.002 Å
• b: 11.2144 ± 0.0013 Å
• c: 13.2709 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No