Information card for entry 4116504

Structure parameters

• Common name: none
• Chemical name: Zinc(II)-2-devinyl-2-carboximinopyropheophorbide a methyl ester chloroform solvate
• Formula: C34 H34 Cl3 N5 O4 Zn
• Calculated formula: C34 H34 Cl3 N5 O4 Zn
• Title of publication: A Pyropheophorbide Dimer with Single Pyrrole π Overlap and a Low-Energy Q Absorption
• Authors of publication: Spencer Knapp; Buwen Huang; Thomas J. Emge; Suzie Sheng; Karsten Krogh-Jespersen; Joseph A. Potenza; Harvey J. Schugar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7977 - 7978
• a: 11.7906 ± 0.0014 Å
• b: 12.4046 ± 0.001 Å
• c: 23.7952 ± 0.0018 Å
• α: 90 ± 0.006°
• β: 90 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 3480.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No