Information card for entry 7223766

Structure parameters

• Chemical name: 1-Hyrdoxy-4-nitiroanthraquinone
• Formula: C14 H7 N O5
• Calculated formula: C14 H7 N O5
• SMILES: O=N(=O)c1c2C(=O)c3c(C(=O)c2c(O)cc1)cccc3
• Title of publication: Coordination environments and π-conjugation in dense lithium coordination polymers
• Authors of publication: Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 398
• a: 7.3423 ± 0.0002 Å
• b: 10.0879 ± 0.0002 Å
• c: 14.4961 ± 0.0003 Å
• α: 90°
• β: 89.137 ± 0.002°
• γ: 90°
• Cell volume: 1073.58 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No