Information card for entry 7230484

Structure parameters

• Formula: C36 H26 N4
• Calculated formula: C36 H26 N4
• Title of publication: Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.
• Authors of publication: Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 11867 - 11875
• a: 9.3712 ± 0.0005 Å
• b: 12.2475 ± 0.0007 Å
• c: 12.7385 ± 0.0007 Å
• α: 92.853 ± 0.005°
• β: 102.427 ± 0.005°
• γ: 111.744 ± 0.006°
• Cell volume: 1312.62 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.087
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No