Information card for entry 4034197

Structure parameters

• Formula: C55 H40 Br4 N8 O8
• Calculated formula: C55 H40 Br4 N8 O8
• 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: 7.8041 ± 0.0002 Å
• b: 20.9989 ± 0.0007 Å
• c: 15.3544 ± 0.0005 Å
• α: 90°
• β: 90.969 ± 0.001°
• γ: 90°
• Cell volume: 2515.88 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No