Information card for entry 1503209

Structure parameters

• Formula: C18 H16 N2 O6
• Calculated formula: C18 H16 N2 O6
• Title of publication: Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.
• Authors of publication: Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4446 - 4449
• a: 16.3276 ± 0.0009 Å
• b: 9.2926 ± 0.0006 Å
• c: 11.4092 ± 0.0006 Å
• α: 90°
• β: 108.846 ± 0.004°
• γ: 90°
• Cell volume: 1638.27 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No