Information card for entry 1502024

Structure parameters

• Formula: C27 H19 Cl N2 O6 S
• Calculated formula: C27 H19 Cl N2 O6 S
• SMILES: c1ccccc1S(=O)(=O)n1c2ccccc2c2c(C)c(C(=O)OC)c(cc12)c1ccc(cc1N(=O)=O)Cl
• 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: 8.1141 ± 0.0018 Å
• b: 12.333 ± 0.003 Å
• c: 12.54 ± 0.003 Å
• α: 75.603 ± 0.005°
• β: 79.653 ± 0.005°
• γ: 86.555 ± 0.005°
• Cell volume: 1195.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No