Information card for entry 1546755

Structure parameters

• Formula: C248 H200 Br8 F8 N8 O16
• Calculated formula: C248 H200 Br8 F8 N8 O16
• Title of publication: Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes.
• Authors of publication: Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 4283 - 4286
• a: 15.599 ± 0.0003 Å
• b: 18.69 ± 0.0005 Å
• c: 19.2605 ± 0.0005 Å
• α: 70.341 ± 0.002°
• β: 87.9 ± 0.002°
• γ: 67.582 ± 0.002°
• Cell volume: 4861.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No