Information card for entry 4030074

Structure parameters

• Formula: C90 H98 N2 Si2
• Calculated formula: C90 H98 N2 Si2
• Title of publication: Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.
• Authors of publication: Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 10013
• a: 13.9906 ± 0.0007 Å
• b: 13.308 ± 0.0006 Å
• c: 20.9613 ± 0.001 Å
• α: 90°
• β: 97.6003 ± 0.0007°
• γ: 90°
• Cell volume: 3868.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No