Information card for entry 2018977

Structure parameters

• Chemical name: <i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin
• Formula: C72 H86 N4 O4
• Calculated formula: C72 H86 N4 O4
• Title of publication: <i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin
• Authors of publication: Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 651 - 653
• a: 15.9611 ± 0.001 Å
• b: 19.1464 ± 0.0012 Å
• c: 10.162 ± 0.0006 Å
• α: 90°
• β: 91.335 ± 0.001°
• γ: 90°
• Cell volume: 3104.6 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes