Information card for entry 7244419

Structure parameters

• Common name: 3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine
• Chemical name: 3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine
• Formula: C13 H5 F7 N
• Calculated formula: C13 H5 F7 N
• 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: 23.9534 ± 0.0017 Å
• b: 13.3698 ± 0.0009 Å
• c: 7.2037 ± 0.0005 Å
• α: 90°
• β: 93.922 ± 0.003°
• γ: 90°
• Cell volume: 2301.6 ± 0.3 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: 0.0958
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No