Information card for entry 7226190

Structure parameters

• Formula: C46 H34 N4 O2
• Calculated formula: C46 H34 N4 O2
• SMILES: c12=C(c3ccc(cc3)C)c3[nH]c(C(=c4ccc(n4)C(=c4[nH]c(=C(c(n2)cc1)c1cc(ccc1)O)cc4)c1ccc(cc1)C)c1cc(ccc1)O)cc3
• Title of publication: Bis-Resorcin[4]arene-Bridged Porphyrin Conjugates: Synthesis, Fluorescence and Binding studies
• Authors of publication: Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4487 ± 0.0011 Å
• b: 8.0623 ± 0.0008 Å
• c: 20.834 ± 0.002 Å
• α: 90°
• β: 100.701 ± 0.007°
• γ: 90°
• Cell volume: 1724.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No