Information card for entry 7157610

Structure parameters

• Formula: C28 H17.07 N2.13 O3.2
• Calculated formula: C28 H17.0667 N2.13333 O3.2
• Title of publication: Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.
• Authors of publication: Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 30
• Pages of publication: 5838 - 5842
• a: 39.337 ± 0.003 Å
• b: 13.8936 ± 0.001 Å
• c: 28.683 ± 0.002 Å
• α: 90°
• β: 93.498 ± 0.004°
• γ: 90°
• Cell volume: 15647 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No