Information card for entry 4001482

Structure parameters

• Chemical name: 11-(1-pyrenemethoxy)-undecanebromide
• Formula: C28 H33 Br O
• Calculated formula: C28 H33 Br O
• SMILES: BrCCCCCCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Multifunctional Nano-Architecture for Biomedical Applications
• Authors of publication: Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1920
• a: 8.6232 ± 0.0004 Å
• b: 9.2261 ± 0.0004 Å
• c: 28.4554 ± 0.0013 Å
• α: 90°
• β: 95.988 ± 0.001°
• γ: 90°
• Cell volume: 2251.52 ± 0.18 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No