Information card for entry 7022207

Structure parameters

• Formula: C50 H56 I2 K2 N20 O17
• Calculated formula: C50 H46 I2 K2 N20 O17
• Title of publication: Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.
• Authors of publication: Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2608 - 2615
• a: 11.997 ± 0.014 Å
• b: 15.364 ± 0.017 Å
• c: 16 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949 ± 6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No