Information card for entry 7114165

Structure parameters

• Formula: C20 H12 N4 S4
• Calculated formula: C20 H12 N4 S4
• SMILES: S1c2nc(Sc3nc(Sc4nc(Sc5nc1ccc5)ccc4)ccc3)ccc2
• Title of publication: Thia-calix[n]pyridines, synthesis and coordination to Cu(i,ii) ions with both N and S donor atomsElectronic supplementary information (ESI) available: emission spectra of compound 1. See http://www.rsc.org/suppdata/cc/b2/b203540e/
• Authors of publication: Tanaka, Rika; Yano, Toshihiro; Nishioka, Takanori; Nakajo, Kunio; Breedlove, Brian K.; Kimura, Kentaro; Kinoshita, Isamu; Isobe, Kiyoshi
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 1686
• a: 8.68 ± 0.002 Å
• b: 9.7776 ± 0.0005 Å
• c: 11.5637 ± 0.0007 Å
• α: 97.695 ± 0.004°
• β: 97.17 ± 0.01°
• γ: 90.681 ± 0.009°
• Cell volume: 964.6 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.572
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No