Information card for entry 1514779

Structure parameters

• Formula: C29 H21 N5 O6 S2
• Calculated formula: C29 H21 N5 O6 S2
• Title of publication: Concise Total Synthesis of (+)-Bionectins A and C.
• Authors of publication: Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3191 - 3197
• a: 11.6928 ± 0.0007 Å
• b: 11.2669 ± 0.0006 Å
• c: 20.6483 ± 0.0011 Å
• α: 90°
• β: 96.676 ± 0.001°
• γ: 90°
• Cell volume: 2701.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No