Information card for entry 7050361

Structure parameters

• Common name: 2-methoxy-4,6-dimethyl-5-formaylbenzaldehyde
• Formula: C11 H12 O3
• Calculated formula: C11 H12 O3
• Title of publication: First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde
• Authors of publication: J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 32.676 ± 0.005 Å
• b: 3.964 ± 0.001 Å
• c: 7.502 ± 0.001 Å
• α: 90°
• β: 98.47 ± 0.01°
• γ: 90°
• Cell volume: 961.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No