Information card for entry 7059646

Structure parameters

• Common name: porphycene
• Formula: C32 H38 N4
• Calculated formula: C32 H38 N4
• Title of publication: Chromatographically separable ruffled non-planar isomeric octaalkylporphycenes: consequences of unsymmetrical substitution upon structure and photophysical properties
• Authors of publication: Pati, Narendra N.; Sahoo, Sameeta; Sahoo, Sipra S.; Banerjee, Dipanjan; Rao, S. Venugopal; Panda, Pradeepta K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9616 - 9620
• a: 10.7208 ± 0.0005 Å
• b: 11.176 ± 0.0005 Å
• c: 11.7946 ± 0.0006 Å
• α: 109.612 ± 0.002°
• β: 98.619 ± 0.002°
• γ: 98.654 ± 0.002°
• Cell volume: 1285.22 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No