Information card for entry 4025085

Structure parameters

• Common name: C37H34N6O7
• Formula: C37 H34 N6 O7
• Calculated formula: C37 H34 N6 O7
• Title of publication: Anion Binding of Short, Flexible Aryl Triazole Oligomers
• Authors of publication: Hemraj Juwarker; Jeremy M. Lenhardt; José C. Castillo; Emily Zhao; Sibi Krishnamurthy; Ryan M. Jamiolkowski; Ki-Hyon Kim; Stephen L. Craig
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8924 - 8934
• a: 10.3554 ± 0.0019 Å
• b: 32.575 ± 0.005 Å
• c: 10.4974 ± 0.0018 Å
• α: 90°
• β: 100.23 ± 0.01°
• γ: 90°
• Cell volume: 3484.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0971
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No