Information card for entry 7102596

Structure parameters

• Common name: H2hp(OH)4
• Chemical name: 1,4,14,17-Tetrahydroxohemiporphyrazine
• Formula: C26 H16 N8 O4
• Calculated formula: C26 H16 N8 O4
• SMILES: c12cccc(n1)N=c1[nH]c(=Nc3cccc(N=c4c5c(ccc(O)c5c([nH]4)=N2)O)n3)c2c1c(ccc2O)O
• Title of publication: Synthesis of a quinone-functionalized macrocyclic ligand and the intense fluorescence of its zinc complex.
• Authors of publication: Ruf, Michael; Durfee, William S; Pierpont, Cortlandt G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1022 - 1023
• a: 4.6912 ± 0.0003 Å
• b: 9.1062 ± 0.0005 Å
• c: 12.4096 ± 0.0006 Å
• α: 92.712 ± 0.002°
• β: 98.596 ± 0.001°
• γ: 91.648 ± 0.002°
• Cell volume: 523.24 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.1066
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No