Information card for entry 4034198

Structure parameters

• Formula: C12 H6 Br N3 O5
• Calculated formula: C12 H6 Br N3 O5
• Title of publication: Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.
• Authors of publication: Seiler, Grant S.; Hughes, Chambers C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 9339 - 9343
• a: 7.3227 ± 0.0006 Å
• b: 9.1869 ± 0.0007 Å
• c: 9.8318 ± 0.0007 Å
• α: 88.721 ± 0.003°
• β: 69.39 ± 0.003°
• γ: 76.809 ± 0.003°
• Cell volume: 601.53 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No