Information card for entry 4306819

Structure parameters

• Formula: C32 H46 B2 N4 Si4
• Calculated formula: C32 H46 B2 N4 Si4
• SMILES: B1N(c2c3c(N1[Si](C)(C)C)ccc1c3c(c3ccc4c5c(N(BN4[Si](C)(C)C)[Si](C)(C)C)ccc1c35)cc2)[Si](C)(C)C
• 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: 6.871 ± 0.0007 Å
• b: 19.769 ± 0.002 Å
• c: 12.6216 ± 0.0013 Å
• α: 90°
• β: 99.396 ± 0.002°
• γ: 90°
• Cell volume: 1691.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No