Information card for entry 1507391

Structure parameters

• Formula: C36 H30 N4 O2
• Calculated formula: C36 H30 N4 O2
• SMILES: O(Cc1ccccc1C1=c2[nH]c(=Cc3nc(=C(c4c(cccc4)COC)c4[nH]c(cc4)C=c4nc1cc4)cc3)cc2)C
• Title of publication: Infinite three-dimensional polymeric metalloporphyrin network via six-coordinate Zn(II) and two axial oxygen donors.
• Authors of publication: Teo, Tang-Lin; Vetrichelvan, Muthalagu; Lai, Yee-Hing
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 4207 - 4210
• a: 8.3509 ± 0.0006 Å
• b: 15.5894 ± 0.0012 Å
• c: 11.0918 ± 0.0008 Å
• α: 90°
• β: 98.646 ± 0.002°
• γ: 90°
• Cell volume: 1427.58 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No