Information card for entry 4509950

Structure parameters

• Common name: orthodibromodibenzphenazine
• Chemical name: 11,12-dibromo-dibenz[a,c]phenazine
• Formula: C20 H10 Br2 N2
• Calculated formula: C20 H10 Br2 N2
• SMILES: n1c2cc(Br)c(Br)cc2nc2c1c1ccccc1c1ccccc21
• 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: 3.8641 ± 0.0009 Å
• b: 26.562 ± 0.006 Å
• c: 14.773 ± 0.003 Å
• α: 90°
• β: 95.929 ± 0.003°
• γ: 90°
• Cell volume: 1508.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No