Information card for entry 1507668

Structure parameters

• Formula: C37 H35 N O2
• Calculated formula: C37 H35 N O2
• SMILES: O[C@]1(C(=C2[C@H]1[C@H](CC1(C2)c2ccccc2c2ccccc12)c1ccccc1)C(=O)N(CC)CC)c1ccccc1.O[C@@]1(C(=C2[C@@H]1[C@@H](CC1(C2)c2ccccc2c2ccccc12)c1ccccc1)C(=O)N(CC)CC)c1ccccc1
• Title of publication: Four nucleophilic additions to alkenynedioic acid derivatives in tandem; efficient one-pot synthesis of bicyclo[4.2.0]octenols.
• Authors of publication: Hata, Takeshi; Imade, Haduki; Urabe, Hirokazu
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2450 - 2453
• a: 6.4973 ± 0.0002 Å
• b: 19.9091 ± 0.0007 Å
• c: 21.8717 ± 0.0008 Å
• α: 90°
• β: 91.521 ± 0.002°
• γ: 90°
• Cell volume: 2828.23 ± 0.17 ų
• Cell temperature: 163.1 K
• Ambient diffraction temperature: 163 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No