Information card for entry 4084487

Structure parameters

• Chemical name: 4H-Cyclopenta[def]triphenylene
• Formula: C19 H12
• Calculated formula: C19 H12
• SMILES: c1ccc2Cc3cccc4c5ccccc5c1c2c34
• Title of publication: Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes
• Authors of publication: Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6200
• a: 21.3643 ± 0.0005 Å
• b: 5.236 ± 0.0001 Å
• c: 22.2066 ± 0.0005 Å
• α: 90°
• β: 109.882 ± 0.003°
• γ: 90°
• Cell volume: 2336.04 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No