Information card for entry 1557335

Structure parameters

• Common name: rctt-3[Ox1]
• Formula: C116.82 H140.82 Cl8.45 O28
• Calculated formula: C116.724 H141.724 Cl8.172 O28
• 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: 14.4911 ± 0.0011 Å
• b: 17.0462 ± 0.0012 Å
• c: 27.359 ± 0.002 Å
• α: 72.867 ± 0.002°
• β: 86.978 ± 0.002°
• γ: 77.872 ± 0.002°
• Cell volume: 6313.8 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.2175
• Residual factor for significantly intense reflections: 0.1822
• Weighted residual factors for significantly intense reflections: 0.5018
• Weighted residual factors for all reflections included in the refinement: 0.5335
• Goodness-of-fit parameter for all reflections included in the refinement: 2.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No