Information card for entry 1546558

Structure parameters

• Formula: C20 H26 I2
• Calculated formula: C20 H26 I2
• SMILES: I/C(=C\1Cc2ccccc2CC1=C(I)/C(C)(C)C)C(C)(C)C
• Title of publication: Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis
• Authors of publication: Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 6.5861 ± 0.0014 Å
• b: 11.262 ± 0.003 Å
• c: 27.326 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026.8 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No