Information card for entry 7207338

Structure parameters

• Formula: C23 H21 N2 O2
• Calculated formula: C23 H21 N2 O2
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange
• Authors of publication: Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1515
• a: 14.428 ± 0.002 Å
• b: 7.4072 ± 0.0012 Å
• c: 33.289 ± 0.005 Å
• α: 90°
• β: 91.483 ± 0.002°
• γ: 90°
• Cell volume: 3556.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1664
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No