Information card for entry 7158298

Structure parameters

• Common name: 1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone
• Chemical name: 1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone
• Formula: C31 H31 N7 O9 S2
• Calculated formula: C31 H31 N7 O9 S2
• Title of publication: Acridinone-based anion transporters.
• Authors of publication: McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 44
• Pages of publication: 9659 - 9674
• a: 11.069 ± 0.002 Å
• b: 19.863 ± 0.004 Å
• c: 14.418 ± 0.003 Å
• α: 90°
• β: 93.29 ± 0.03°
• γ: 90°
• Cell volume: 3164.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1187
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.3095
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No