Information card for entry 4346860

Structure parameters

• Common name: binaphthyl dicarboxylic acid
• Chemical name: 1,1'-binaphthyl-4,4'-dicarboxylic acid
• Formula: C25 H21 N O5
• Calculated formula: C25 H21 N O5
• SMILES: OC(=O)c1ccc(c2c1cccc2)c1ccc(c2ccccc12)C(=O)O.N(C=O)(C)C
• Title of publication: UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.
• Authors of publication: Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 1986 - 1991
• a: 9.0298 ± 0.0004 Å
• b: 11.1665 ± 0.0005 Å
• c: 11.4109 ± 0.0005 Å
• α: 63.855 ± 0.001°
• β: 77.038 ± 0.001°
• γ: 79.097 ± 0.001°
• Cell volume: 1001.15 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 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 all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No