Information card for entry 7107581

Structure parameters

• Formula: C34 H42 N4 O2
• Calculated formula: C34 H42 N4 O2
• SMILES: C(#N)c1nc(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)c(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nc1C#N
• Title of publication: Antioxidant-substituted Tetrapyrazinoporphyrinazine as a Turn-on Fluorescent Sensor for Basic Anions
• Authors of publication: Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis DfSouza; Yonshu Xie; Satyajit Sahu; Noelia M. Sanchez-Ballester; Gary J. Richards; Toshiyuki Mori; Katsuhiko Ariga
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3951
• a: 15.9922 ± 0.0012 Å
• b: 15.9922 ± 0.0012 Å
• c: 12.4393 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181.4 ± 0.6 ų
• Cell temperature: 180 ± 3 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.527
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No