Information card for entry 4108698

Structure parameters

• Formula: C47.43 H34.58 Cu N4 O1.86
• Calculated formula: C47.432 H34.58 Cu N4 O1.858
• 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: 13.552 ± 0.003 Å
• b: 18.959 ± 0.005 Å
• c: 14.881 ± 0.003 Å
• α: 90°
• β: 109.326 ± 0.005°
• γ: 90°
• Cell volume: 3608 ± 1.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No