Information card for entry 4122202

Structure parameters

• Formula: C34 H24 N2 O4
• Calculated formula: C34 H24 N2 O4
• SMILES: Oc1cccc2c1c1c(O)cccc1c1cccc(O)c1c1c(O)cccc21.n1ccc(cc1)c1ccncc1
• 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: 9.0474 ± 0.0008 Å
• b: 18.2579 ± 0.0016 Å
• c: 9.0807 ± 0.0009 Å
• α: 90°
• β: 117.088 ± 0.002°
• γ: 90°
• Cell volume: 1335.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No