Information card for entry 7244418

Structure parameters

• Common name: 10,13-DiBromo-dibenzo[a,c]phenazine
• Chemical name: 10,13-DiBromo-dibenzo[a,c]phenazine
• Formula: C20 H10 Br2 N2
• Calculated formula: C20 H10 Br2 N2
• SMILES: Brc1ccc(Br)c2nc3c4c(c5ccccc5c3nc12)cccc4
• Title of publication: Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives
• Authors of publication: Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 4.2682 ± 0.0002 Å
• b: 18.1897 ± 0.001 Å
• c: 19.6942 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No