Information card for entry 7119500

Structure parameters

• Common name: PySi
• Formula: C29 H37 N O4 Si
• Calculated formula: C29 H37 N O4 Si
• Title of publication: Template-free hierarchical self-assembly of a pyrene derivative into supramolecular nanorods.
• Authors of publication: El Idrissi, Mohamed; Teat, Simon J.; Corvini, Philippe F.-X.; Paterson, Martin J.; Dalgarno, Scott J.; Shahgaldian, Patrick
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1973 - 1976
• a: 19.1439 ± 0.0007 Å
• b: 9.6535 ± 0.0003 Å
• c: 30.1293 ± 0.001 Å
• α: 90°
• β: 107.678 ± 0.002°
• γ: 90°
• Cell volume: 5305.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.2765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No