Information card for entry 1571310

Structure parameters

• Chemical name: P2Mac
• Formula: C26 H24 N6 O3
• Calculated formula: C26 H24 N6 O3
• Title of publication: Self-assembly of water-filled molecular saddles to generate diverse morphologies and high proton conductivity.
• Authors of publication: Pradhan, Nyaya Prakash; Gupta, Sweety; Ghosh, Swapnendu Narayan; Paul, Amit; Talukder, Santanu; Srivastava, Aasheesh
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 8427 - 8433
• a: 15.1491 ± 0.0013 Å
• b: 8.24 ± 0.0006 Å
• c: 17.97 ± 0.0013 Å
• α: 90°
• β: 91.932 ± 0.004°
• γ: 90°
• Cell volume: 2241.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No