Information card for entry 1571765

Structure parameters

• Chemical name: 2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline
• Formula: C26 H18 Br N
• Calculated formula: C26 H18 Br N
• SMILES: Brc1c2c(c(c3c1cccc3)c1c(Nc3ccccc3)cccc1)cccc2
• Title of publication: 2-(10-Bromoanthracen-9-yl)-N-phenylaniline
• Authors of publication: Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 5
• Pages of publication: x240475
• a: 13.0619 ± 0.0017 Å
• b: 7.6891 ± 0.001 Å
• c: 20.475 ± 0.003 Å
• α: 90°
• β: 106.809 ± 0.014°
• γ: 90°
• Cell volume: 1968.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No