Information card for entry 4306820

Structure parameters

• Formula: C42 H66 Al2 N4 O2 Si4
• Calculated formula: C42 H66 Al2 N4 O2 Si4
• SMILES: [O]1([Al]2(N(c3c4c(N2[Si](C)(C)C)ccc2c4c(cc3)c3c4c5c(N([Al](N(c5cc3)[Si](C)(C)C)([O]3CCCC3)C)[Si](C)(C)C)ccc24)[Si](C)(C)C)C)CCCC1
• Title of publication: Putting Group 13 Elements onto Perylenes: Highly Fluorescent N-B-N- and N-Al-N-substituted Polycyclic Aromatics
• Authors of publication: Till Riehm; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11467 - 11469
• a: 7.189 ± 0.0018 Å
• b: 16.902 ± 0.004 Å
• c: 19.026 ± 0.005 Å
• α: 90°
• β: 99.223 ± 0.005°
• γ: 90°
• Cell volume: 2281.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No