Information card for entry 1513527

Structure parameters

• Formula: C7 H8 N O3
• Calculated formula: C7 H8 N O3
• Title of publication: β-Octamethoxyporphycenes.
• Authors of publication: Rana, Anup; Panda, Pradeepta K.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 78 - 81
• a: 4.379 ± 0.004 Å
• b: 8.588 ± 0.008 Å
• c: 9.945 ± 0.009 Å
• α: 77.22 ± 0.014°
• β: 82.897 ± 0.015°
• γ: 85.329 ± 0.014°
• Cell volume: 361.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1153
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No