Information card for entry 4109672

Structure parameters

• Formula: C18 H16 Cr
• Calculated formula: C18 H16 Cr
• SMILES: [Cr]123456789%10(C%11[CH]1=[CH]2[CH]3=[CH]4[CH]5=[CH]6%11)[c]1([cH]%10[cH]9[cH]8[cH]71)c1ccccc1
• Title of publication: Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure
• Authors of publication: Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8893 - 8906
• a: 10.7402 ± 0.0008 Å
• b: 7.7821 ± 0.0006 Å
• c: 15.8286 ± 0.0011 Å
• α: 90°
• β: 97.715 ± 0.004°
• γ: 90°
• Cell volume: 1311 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No