Information card for entry 4038274

Structure parameters

• Chemical name: 9-[(Triisopropylsilyl)ethynyl]-10-[(trimethylsilyl)ethynyl]-triptycene
• Formula: C18 H21 Si
• Calculated formula: C18 H21 Si
• Title of publication: Towards triptycene functionalization and triptycene-linked porphyrin arrays.
• Authors of publication: Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 763 - 777
• a: 10.9626 ± 0.0004 Å
• b: 11.864 ± 0.0004 Å
• c: 12.8821 ± 0.0005 Å
• α: 90.244 ± 0.002°
• β: 93.352 ± 0.002°
• γ: 98.157 ± 0.002°
• Cell volume: 1655.53 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No