Information card for entry 4108697

Structure parameters

• Formula: C49 H36 Cu N4 O3
• Calculated formula: C49 H36 Cu N4 O3
• Title of publication: Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents
• Authors of publication: Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15864 - 15871
• a: 14.788 ± 0.003 Å
• b: 9.9818 ± 0.0016 Å
• c: 24.751 ± 0.004 Å
• α: 90°
• β: 92.106 ± 0.006°
• γ: 90°
• Cell volume: 3651 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No