Information card for entry 8000096

Structure parameters

• Common name: anthryldiphosphene
• Chemical name: 9-anthryldiphosphene
• Formula: C41 H68 P2 Si6
• Calculated formula: C41 H68 P2 Si6
• SMILES: P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1c2ccccc2cc2ccccc12
• Title of publication: Synthesis and Properties of 9-Anthryldiphosphene
• Authors of publication: Sasamori, Takahiro; Tsurusaki, Akihiro; Nagahora, Noriyoshi; Matsuda, Kazunari; Kanemitsu, Yoshihiko; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 1382
• a: 9.3648 ± 0.0004 Å
• b: 10.9768 ± 0.0004 Å
• c: 23.3567 ± 0.0011 Å
• α: 80.0636 ± 0.0018°
• β: 89.1003 ± 0.0016°
• γ: 86.533 ± 0.003°
• Cell volume: 2360.59 ± 0.17 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: 0.1117
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No