Information card for entry 1507638

Structure parameters

• Formula: C24 H20 Br N O4
• Calculated formula: C24 H20 Br N O4
• SMILES: Brc1cc(c2c3ccccc3C[C@H](c2c1OC(=O)c1ccc(cc1)N(=O)=O)CC)C
• Title of publication: Asymmetric synthesis of chiral 9,10-dihydrophenanthrenes using pd-catalyzed asymmetric intramolecular friedel-crafts allylic alkylation of phenols.
• Authors of publication: Suzuki, Yuta; Nemoto, Tetsuhiro; Kakugawa, Kazumi; Hamajima, Akinari; Hamada, Yasumasa
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2350 - 2353
• a: 7.7671 ± 0.0009 Å
• b: 13.4242 ± 0.0016 Å
• c: 19.659 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No