Information card for entry 4107410

Structure parameters

• Formula: C22 H26 Cl7 D2 N O4
• Calculated formula: C22 H28 Cl7 N O4
• Title of publication: Evolution of a Synthetic Strategy: Total Synthesis of (\±)-Welwitindolinone A Isonitrile
• Authors of publication: Sarah E. Reisman; Joseph M. Ready; Matthew M. Weiss; Atsushi Hasuoka; Makoto Hirata; Kazuhiko Tamaki; Timo V. Ovaska; Catherine J. Smith; John L. Wood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2087 - 2100
• a: 10.625 ± 0.002 Å
• b: 11.705 ± 0.002 Å
• c: 12.203 ± 0.002 Å
• α: 80.13 ± 0.03°
• β: 68.04 ± 0.03°
• γ: 84.11 ± 0.03°
• Cell volume: 1385.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0712
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No