Information card for entry 2004427

Structure parameters

• Chemical name: 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~
• Formula: C39 H54 Cl2 N2 O12
• Calculated formula: C39 H52 Cl2 N2 O12
• Title of publication: Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)
• Authors of publication: Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 113 - 116
• a: 8.818 ± 0.002 Å
• b: 10.875 ± 0.001 Å
• c: 12.023 ± 0.002 Å
• α: 110.45 ± 0.01°
• β: 92.53 ± 0.02°
• γ: 107.3 ± 0.01°
• Cell volume: 1017.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No