Information card for entry 1502025

Structure parameters

• Formula: C27 H19 F N2 O6 S
• Calculated formula: C27 H19 F N2 O6 S
• SMILES: c12ccccc1c1c(cc(c(c1C)C(=O)OC)c1cc(ccc1N(=O)=O)F)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: 8.2699 ± 0.0009 Å
• b: 11.008 ± 0.0011 Å
• c: 13.4496 ± 0.0013 Å
• α: 90.216 ± 0.006°
• β: 96.142 ± 0.005°
• γ: 106.895 ± 0.004°
• Cell volume: 1164 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No