Information card for entry 1551169

Structure parameters

• Formula: C43 H32 N4
• Calculated formula: C43 H32 N4
• SMILES: n1(c2c3ccc(c2c2ccccc12)CCc1ccc(CC3)cc1)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: 15.6193 ± 0.0006 Å
• b: 13.7087 ± 0.0004 Å
• c: 14.6312 ± 0.0005 Å
• α: 90°
• β: 94.394 ± 0.003°
• γ: 90°
• Cell volume: 3123.63 ± 0.19 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 3
• 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: 0.0872
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No