Information card for entry 7132669

Structure parameters

• Formula: C38 H46 N10 O8 P4
• Calculated formula: C38 H46 N10 O8 P4
• SMILES: P12(=Nc3ccc(cc3)C(=O)OC)N(P3(=Nc4ccc(cc4)C(=O)OC)N(P(=Nc4ccc(cc4)C(=O)OC)(N1C)N(P(=Nc1ccc(cc1)C(=O)OC)(N2C)N3C)C)C)C
• Title of publication: Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.
• Authors of publication: Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 19
• Pages of publication: 2629 - 2632
• a: 9.9127 ± 0.0003 Å
• b: 12.0311 ± 0.0004 Å
• c: 17.7893 ± 0.0007 Å
• α: 96.019 ± 0.001°
• β: 99.704 ± 0.001°
• γ: 95.561 ± 0.001°
• Cell volume: 2065.42 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No