Information card for entry 7110702

Structure parameters

• Formula: C46 H73 Li4 N5 O6
• Calculated formula: C46 H73 Li4 N5 O6
• Title of publication: Porphodimethene‒porphyrinogen relationship: the generation of unprecedented forms of porphyrinogen†
• Authors of publication: Bonomo, Lucia; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo; Latronico, Mario
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 2227
• a: 11.755 ± 0.002 Å
• b: 20.644 ± 0.004 Å
• c: 19.117 ± 0.004 Å
• α: 90°
• β: 95.22 ± 0.03°
• γ: 90°
• Cell volume: 4619.9 ± 1.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No