Information card for entry 1502026

Structure parameters

• Formula: C28 H20 N2 O8 S
• Calculated formula: C28 H20 N2 O8 S
• SMILES: c12ccccc1c1c(cc(c(c1C)C(=O)OC)c1cc3c(cc1N(=O)=O)OCO3)n2S(=O)(=O)c1ccccc1
• Title of publication: Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.
• Authors of publication: Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1418 - 1421
• a: 8.685 ± 0.0003 Å
• b: 12.5559 ± 0.0004 Å
• c: 13.1495 ± 0.0004 Å
• α: 65.376 ± 0.002°
• β: 76.518 ± 0.002°
• γ: 70.244 ± 0.002°
• Cell volume: 1219.64 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No