Information card for entry 1513928

Structure parameters

• Formula: C30 H22 N2 O10
• Calculated formula: C30 H22 N2 O10
• SMILES: O=C1c2cc(C#C)cc(OC)c2OC2[C@H](OCc3ccccc3)CC[C@@H](OC(=O)c3cc(N(=O)=O)cc(N(=O)=O)c3)C1=2.O=C1c2cc(C#C)cc(OC)c2OC2[C@@H](OCc3ccccc3)CC[C@H](OC(=O)c3cc(N(=O)=O)cc(N(=O)=O)c3)C1=2
• Title of publication: DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.
• Authors of publication: Castillo-Contreras, Emmanuel B; Dake, Gregory R.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1642 - 1645
• a: 8.395 ± 0.005 Å
• b: 14.767 ± 0.005 Å
• c: 20.845 ± 0.005 Å
• α: 90°
• β: 92.298 ± 0.005°
• γ: 90°
• Cell volume: 2582.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No