Information card for entry 7032764

Structure parameters

• Common name: H2NDC-NO2
• Chemical name: 1-Nitronaphthlanene-3,7-dicarboxylic acid
• Formula: C15 H14 N2 O7
• Calculated formula: C15 H14 N2 O7
• SMILES: O=C(O)c1cc2ccc(cc2c(N(=O)=O)c1)C(=O)O.O=CN(C)C
• Title of publication: Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.
• Authors of publication: Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 18017 - 18024
• a: 23.991 ± 0.005 Å
• b: 5.746 ± 0.001 Å
• c: 21.791 ± 0.004 Å
• α: 90°
• β: 106.07 ± 0.03°
• γ: 90°
• Cell volume: 2886.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No