Information card for entry 2217912

Structure parameters

• Chemical name: 1-Phenyl-3-{4-[4-(4-undecyloxybenzoyloxy)phenyloxycarbonyl]phenyl}triazene 1-oxide
• Formula: C37 H41 N3 O6
• Calculated formula: C37 H41 N3 O6
• SMILES: O=N(=NNc1ccc(cc1)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCC)cc2)cc1)c1ccccc1
• Title of publication: 1-Phenyl-3-{4-[4-(4-undecyloxybenzoyloxy)phenyloxycarbonyl]phenyl}triazene 1-oxide
• Authors of publication: Das, Purak; Biswas, Achintesh Narayan; Upreti, Shailesh; Mandal, Pradip Kumar; Bandyopadhyay, Pinaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o676
• a: 5.674 ± 0.003 Å
• b: 12.039 ± 0.007 Å
• c: 24.931 ± 0.015 Å
• α: 101.779 ± 0.01°
• β: 92.826 ± 0.011°
• γ: 96.565 ± 0.01°
• Cell volume: 1651.6 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1696
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes