Information card for entry 1502734

Structure parameters

• Formula: C44 H30
• Calculated formula: C44 H30
• SMILES: c12c(ccc(c1)c1ccccc1c1ccccc1)c1c(cc(cc1)c1c(c3ccccc3)cccc1)C2=C1C=CC=CC=C1
• Title of publication: Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride
• Authors of publication: Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 43
• Pages of publication: 18702
• a: 39.1553 ± 0.0007 Å
• b: 39.1553 ± 0.0007 Å
• c: 11.16743 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14827.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No