Information card for entry 4134159

Structure parameters

• Formula: C102 H133 F12 N2 O12 P2
• Calculated formula: C102 H133 F12 N2 O12 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1Cc2c(c3c(c(c2CC)COCc2c4c(c(COCc5c(c(COCc6c7c(c(c(OCCCC)cc7)COC3)ccc6OCCCC)c(c(COCc3c6c(c(C1)c(OCCCC)cc6)ccc3OCCCC)c5CC)CC)CC)c(OCCCC)cc4)ccc2OCCCC)CC)CC.[n+]1(ccc(c2cc[n+](cc2)C)cc1)C
• Title of publication: Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls.
• Authors of publication: Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 7
• Pages of publication: 3306 - 3310
• a: 25.574 ± 0.005 Å
• b: 27.719 ± 0.006 Å
• c: 29.313 ± 0.006 Å
• α: 90°
• β: 108.43 ± 0.03°
• γ: 90°
• Cell volume: 19714 ± 8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No