Information card for entry 1573532

Structure parameters

• Chemical name: 6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine
• Formula: C29 H26 Br N
• Calculated formula: C29 H26 Br N
• SMILES: Brc1cc2c(c3c(cc(N(c4ccccc4)c4ccccc4)cc3)C2(CC)CC)cc1
• Title of publication: 6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
• Authors of publication: Khamrang, Themmila; Kannan, A.; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 12
• Pages of publication: x241176
• a: 12.7044 ± 0.0014 Å
• b: 10.5123 ± 0.0017 Å
• c: 18.2491 ± 0.0019 Å
• α: 90°
• β: 105.372 ± 0.012°
• γ: 90°
• Cell volume: 2350 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No