Information card for entry 4509951

Structure parameters

• Common name: 11,12-bisC3F7dibenzphenazine
• Chemical name: 11,12-bis(perfluoropropyl)-dibenz[a,c]phenazine
• Formula: C26 H10 F14 N2
• Calculated formula: C26 H10 F14 N2
• SMILES: n1c2cc(C(C(C(F)(F)F)(F)F)(F)F)c(cc2nc2c1c1c(c3c2cccc3)cccc1)C(C(C(F)(F)F)(F)F)(F)F
• Title of publication: Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance
• Authors of publication: Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 350
• a: 16.966 ± 0.004 Å
• b: 38.644 ± 0.01 Å
• c: 6.9694 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4569 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No