Information card for entry 1506708

Structure parameters

• Common name: 16
• Chemical name: 8,15,24,31-tetraaza-1,6,17,22-tetrachloro-33,33,34,34-tetramethoxynonacyclo [20.10.1.116,17.02,21.05,18.07,16.09,14.023,32.025,30] tetratricontane-7(16),9,10,12,15,23(32),25,26,28,31-decaene.
• Formula: C34 H32 Cl4 N4 O4
• Calculated formula: C34 H32 Cl4 N4 O4
• SMILES: Cl[C@]12c3nc4c(nc3[C@](Cl)(C1(OC)OC)[C@@H]1[C@H]2CC[C@H]2[C@@H](CC1)[C@@]1(Cl)c3nc5c(nc3[C@]2(Cl)C1(OC)OC)cccc5)cccc4
• 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: 11.2393 ± 0.0006 Å
• b: 16.951 ± 0.0009 Å
• c: 17.1697 ± 0.0009 Å
• α: 90°
• β: 101.104 ± 0.001°
• γ: 90°
• Cell volume: 3209.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No