Information card for entry 4035708

Structure parameters

• Formula: C29 H26 B F2 N3
• Calculated formula: C29 H26 B F2 N3
• SMILES: F[B]1(F)n2c3c(c(c4[nH]c5ccccc5c4c3c3[n]1c(C)ccc3)CCCCC)c1ccccc21
• Title of publication: Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.
• Authors of publication: Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14406 - 14418
• a: 24.1507 ± 0.0018 Å
• b: 12.2214 ± 0.0009 Å
• c: 7.8434 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No