Information card for entry 1560186

Structure parameters

• Formula: C8 H8 N2 O2
• Calculated formula: C8 H8 N2 O2
• SMILES: NC(=[NH2+])c1ccc(cc1)C(=O)[O-]
• Title of publication: Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks
• Authors of publication: Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 3322 - 3327
• a: 6.931 ± 0.0014 Å
• b: 7.59 ± 0.0015 Å
• c: 7.735 ± 0.0015 Å
• α: 60.94 ± 0.03°
• β: 82.44 ± 0.03°
• γ: 75.12 ± 0.03°
• Cell volume: 343.75 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0985
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections: 0.3309
• Weighted residual factors for significantly intense reflections: 0.3279
• Weighted residual factors for all reflections included in the refinement: 0.3262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No