Information card for entry 7101183

Structure parameters

• Common name: 5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin
• Chemical name: 5,10,15,20-tetrakis(3,5-di-t-butyl-4-hydroxyphenyl)porphyrin
• Formula: C94 H122 N4 O4
• Calculated formula: C94 H122 N4 O4
• Title of publication: Regulating the stability of 2D crystal structures using an oxidation state-dependent molecular conformation
• Authors of publication: Hill, Jonathan P.; Wakayama, Yutaka; Schmitt, Wolfgang; Tsuruoka, Tohru; Nakanishi, Takashi; Zandler, Melvin L.; McCarty, Amy L.; D'Souza, Francis; Milgrom, Lionel R.; Ariga, Katsuhiko
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2320 - 2322
• a: 10.643 ± 0.002 Å
• b: 14.476 ± 0.003 Å
• c: 15.377 ± 0.003 Å
• α: 97.08 ± 0.03°
• β: 102.4 ± 0.03°
• γ: 110.63 ± 0.03°
• Cell volume: 2113.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1343
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No