Information card for entry 4000392

Structure parameters

• Common name: lj28a
• Formula: C44 H34 N4 Si
• Calculated formula: C44 H34 N4 Si
• SMILES: C[Si]1(C)C(=C(C(=C1c1ccc(cc1)n1ccc2c1nccc2)c1ccccc1)c1ccccc1)c1ccc(cc1)n1ccc2c1nccc2
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 11.681 ± 0.003 Å
• b: 13.303 ± 0.003 Å
• c: 13.344 ± 0.003 Å
• α: 61.103 ± 0.004°
• β: 68.788 ± 0.004°
• γ: 74.871 ± 0.005°
• Cell volume: 1682.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2172
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No