Information card for entry 4083795

Structure parameters

• Common name: 9-germaanthracene
• Formula: C43 H76 Ge Si7
• Calculated formula: C43 H76 Ge Si7
• SMILES: [Ge]1(=c2ccccc2=Cc2ccccc12)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene
• Authors of publication: Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3533
• a: 9.3543 ± 0.0002 Å
• b: 15.8642 ± 0.0003 Å
• c: 16.9042 ± 0.0004 Å
• α: 87.6752 ± 0.0014°
• β: 86.2064 ± 0.0015°
• γ: 77.4549 ± 0.001°
• Cell volume: 2442.42 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No