Information card for entry 7125156

Structure parameters

• Formula: C19 H18 Br N O4
• Calculated formula: C19 H18 Br N O4
• Title of publication: Enantioselective formation of cyclopropane spiroindenes from benzofulvenes by phase transfer catalysis.
• Authors of publication: Donslund, Bjarke S.; Jessen, Nicolaj Inunnguaq; Jakobsen, Joakim Bøgelund; Monleón, Alicia; Nielsen, Rune Pagh; Jørgensen, Karl Anker
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12474 - 12477
• a: 15.6261 ± 0.0003 Å
• b: 15.6261 ± 0.0003 Å
• c: 6.58142 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1391.72 ± 0.05 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No