Information card for entry 7115307

Structure parameters

• Formula: C26 H28
• Calculated formula: C26 H28
• SMILES: C12CC3(CC(C1)CC(C3)C2)C(=C)/C=C/c1ccc(cc1)c1ccccc1
• Title of publication: Pd-Catalyzed ring-opening cross-coupling of cyclopropenes with aryl iodides
• Authors of publication: Hang Zhang; Bo Wang; Kang Wang; Guojun Xie; Changkun Li; Yan Zhang; Jianbo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8050
• a: 9.9322 ± 0.0004 Å
• b: 8.985 ± 0.0003 Å
• c: 43.0557 ± 0.0019 Å
• α: 90°
• β: 91.32 ± 0.004°
• γ: 90°
• Cell volume: 3841.3 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 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: 0.0681
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No