Information card for entry 7236414

Structure parameters

• Chemical name: Tripticene triacid
• Formula: C52 H26 F12 N6 O14
• Calculated formula: C52 H26 F12 N6 O14
• Title of publication: Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF
• Authors of publication: Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 5402
• a: 9.425 ± 0.003 Å
• b: 13.46 ± 0.004 Å
• c: 24.125 ± 0.008 Å
• α: 92.963 ± 0.007°
• β: 91.438 ± 0.008°
• γ: 106.991 ± 0.008°
• Cell volume: 2920.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2597
• Residual factor for significantly intense reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.3729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No