Information card for entry 4036089

Structure parameters

• Common name: 3g in manuscript
• Formula: C84 H86 N4 O2 Si2
• Calculated formula: C84 H86 N4 O2 Si2
• SMILES: C(#C[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c2cc3c(cc2c(C#C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c2cc4c(cc12)nc1c(c2ccccc2C(=O)c2ccccc12)n4)nc1c(c2ccccc2C(=O)c2ccccc12)n3
• Title of publication: Azaacenodibenzosuberones.
• Authors of publication: Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 34.619 ± 0.004 Å
• b: 12.3766 ± 0.001 Å
• c: 17.2734 ± 0.0017 Å
• α: 90°
• β: 105.698 ± 0.008°
• γ: 90°
• Cell volume: 7125 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2377
• Weighted residual factors for all reflections included in the refinement: 0.3008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No