Information card for entry 1551168

Structure parameters

• Formula: C33 H22 N4
• Calculated formula: C33 H22 N4
• SMILES: n1(c2ccccc2c2c1cccc2)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
• Title of publication: Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor
• Authors of publication: Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 3.8653 ± 0.0002 Å
• b: 15.5368 ± 0.0008 Å
• c: 19.505 ± 0.0012 Å
• α: 101.55 ± 0.004°
• β: 91.474 ± 0.005°
• γ: 94.709 ± 0.004°
• Cell volume: 1142.7 ± 0.11 ų
• Cell temperature: 160.15 K
• Ambient diffraction temperature: 160.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No