Information card for entry 1502134

Structure parameters

• Common name: Chloro[6,10-dimethyl-15b-phosphanaphtho [1,8-ab]perylene-kappaP15b] gold(I)
• Formula: C28 H19 Au Cl P
• Calculated formula: C28 H19 Au Cl P
• SMILES: [Au](Cl)[P]12c3cccc4ccc(c(c34)c3c1c(ccc3)c1c(ccc3cccc2c13)C)C
• Title of publication: Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.
• Authors of publication: Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2130 - 2133
• a: 9.705 ± 0.004 Å
• b: 23.07 ± 0.009 Å
• c: 10.283 ± 0.004 Å
• α: 90°
• β: 113.342 ± 0.004°
• γ: 90°
• Cell volume: 2113.9 ± 1.5 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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: 0.0471
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No