Information card for entry 1559074

Structure parameters

• Chemical name: 6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine
• Formula: C27 H19 F2 N
• Calculated formula: C27 H19 F2 N
• SMILES: n1c(c2c(c3c1c1c(cccc1)CC3)c1c(CC2)cccc1)c1cc(F)c(F)cc1
• Title of publication: 6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine
• Authors of publication: Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201241
• a: 9.394 ± 0.005 Å
• b: 9.802 ± 0.005 Å
• c: 11.914 ± 0.006 Å
• α: 88.983 ± 0.005°
• β: 73.144 ± 0.005°
• γ: 69.488 ± 0.005°
• Cell volume: 979 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes