Information card for entry 1507061

Structure parameters

• Formula: C60 H62 N4 O8
• Calculated formula: C60 H62 N4 O8
• Title of publication: Pincer-porphyrin hybrids.
• Authors of publication: Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3023 - 3026
• a: 14.0191 ± 0.0002 Å
• b: 9.9445 ± 0.0001 Å
• c: 18.9747 ± 0.0003 Å
• α: 90°
• β: 102.571 ± 0.0013°
• γ: 90°
• Cell volume: 2581.9 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No