Information card for entry 4348154

Structure parameters

• Chemical name: 11-(4-(4-dimethoxyphenyl)aminophenyl)dipyrido[3,2-a:2',3'-c]phenazine
• Formula: C39 H28 Cl3 N5 O2
• Calculated formula: C39 H28 Cl3 N5 O2
• SMILES: O(c1ccc(N(c2ccc(c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)cc2)c2ccc(OC)cc2)cc1)C.ClC(Cl)Cl
• Title of publication: Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.
• Authors of publication: Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8446 - 8458
• a: 5.9904 ± 0.0001 Å
• b: 10.3974 ± 0.0003 Å
• c: 27.3036 ± 0.0006 Å
• α: 92.437 ± 0.002°
• β: 96.088 ± 0.002°
• γ: 100.467 ± 0.002°
• Cell volume: 1659.54 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No