Information card for entry 7127552

Structure parameters

• Formula: C28 H22 O2
• Calculated formula: C28 H22 O2
• SMILES: O(c1ccc(C(=C2c3c(c4c2cccc4)cccc3)c2ccc(OC)cc2)cc1)C
• Title of publication: Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.
• Authors of publication: Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 484 - 487
• a: 13.76217 ± 0.00004 Å
• b: 10.08021 ± 0.00003 Å
• c: 14.3837 ± 0.00004 Å
• α: 90°
• β: 90.2256 ± 0.0003°
• γ: 90°
• Cell volume: 1995.37 ± 0.01 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No