Information card for entry 4516166

Structure parameters

• Chemical name: N,N'-bismesitylphenanthrone-9,10-diimine
• Formula: C32 H30 N2
• Calculated formula: C32 H30 N2
• SMILES: N(=C1/C(=N/c2c(cc(cc2C)C)C)c2ccccc2c2ccccc12)/c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone.
• Authors of publication: Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 16858 - 16865
• a: 34.0363 ± 0.0008 Å
• b: 7.9956 ± 0.0002 Å
• c: 18.5251 ± 0.0004 Å
• α: 90°
• β: 97.374 ± 0.001°
• γ: 90°
• Cell volume: 4999.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No