Information card for entry 1557337

Structure parameters

• Common name: rccc-2
• Formula: C226.36 H257.54 O43.98
• Calculated formula: C226.412 H257.64 O43.98
• 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: 21.154 ± 0.005 Å
• b: 19.669 ± 0.005 Å
• c: 25.429 ± 0.007 Å
• α: 90°
• β: 90.27 ± 0.008°
• γ: 90°
• Cell volume: 10580 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.2832
• Residual factor for significantly intense reflections: 0.2119
• Weighted residual factors for significantly intense reflections: 0.5429
• Weighted residual factors for all reflections included in the refinement: 0.5675
• Goodness-of-fit parameter for all reflections included in the refinement: 2.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No