Information card for entry 4119093

Structure parameters

• Formula: C28 H20 N2 O4
• Calculated formula: C28 H20 N2 O4
• SMILES: Oc1cccc2c1c1c(O)cccc1c1cccc(O)c1c1c(O)cccc21.n1ccncc1
• Title of publication: Chiral Rodlike Platinum Complexes, Double Helical Chains, and Potential Asymmetric Hydrogenation Ligand Based on “Linear” Building Blocks: 1,8,9,16-Tetrahydroxytetraphenylene and 1,8,9,16-Tetrakis(diphenylphosphino)tetraphenylene
• Authors of publication: Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9603 - 9611
• a: 13.652 ± 0.012 Å
• b: 8.691 ± 0.008 Å
• c: 18.893 ± 0.017 Å
• α: 90°
• β: 103.219 ± 0.015°
• γ: 90°
• Cell volume: 2182 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1392
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No