Information card for entry 1557336

Structure parameters

• Common name: rctt-4
• Formula: C76 H74 O11
• Calculated formula: C77 H76 O10
• Title of publication: Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.
• Authors of publication: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2614 - 2620
• a: 13.0381 ± 0.0003 Å
• b: 16.6752 ± 0.0004 Å
• c: 17.4483 ± 0.0004 Å
• α: 61.711 ± 0.001°
• β: 79.037 ± 0.001°
• γ: 74.295 ± 0.001°
• Cell volume: 3207.14 ± 0.13 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No