Information card for entry 4029692

Structure parameters

• Formula: C26 H16
• Calculated formula: C26 H16
• SMILES: c12ccccc1ccc1c2c2c(c3c1cccc3)ccc1c2cccc1
• Title of publication: Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
• Authors of publication: Sun, Yin-Wei; Xu, Qin; Shi, Min
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2013
• Journal volume: 9
• Pages of publication: 2224 - 2232
• a: 5.8492 ± 0.0016 Å
• b: 13.351 ± 0.004 Å
• c: 21.102 ± 0.006 Å
• α: 90°
• β: 91.971 ± 0.005°
• γ: 90°
• Cell volume: 1646.9 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No