Information card for entry 1505606

Structure parameters

• Formula: C17 H19 Cl2 N2 O4
• Calculated formula: C17 H19 Cl2 N2 O4
• Title of publication: Cross-coupling for cross-conjugation: practical synthesis and Diels-Alder reactions of [3]dendralenes.
• Authors of publication: Bradford, Tanya A.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 4861 - 4864
• a: 26.3354 ± 0.0007 Å
• b: 8.4373 ± 0.0002 Å
• c: 17.027 ± 0.0004 Å
• α: 90°
• β: 110.475 ± 0.0016°
• γ: 90°
• Cell volume: 3544.37 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No