Information card for entry 4001288

Structure parameters

• Formula: C14 H28 Br N O
• Calculated formula: C14 H28 Br N O
• SMILES: CC1(C)C[C@@H]2C[C@@](C1)(C)C[N+]12CCCC1.[Br-].O.CC1(C)C[C@H]2C[C@](C1)(C)C[N+]12CCCC1.[Br-].O
• Title of publication: Pure Silica Large Pore Zeolite ITQ-7: Synthetic Strategies, Structure-Directing Effects, and Control and Nature of Structural Disorder
• Authors of publication: Villaescusa, L. A.; Díaz, I.; Barrett, P. A.; Nair, S.; LLoris-Cormano, J. M.; Martínez-Mañez, R.; Tsapatsis, M.; Liu, Z.; Terasaki, O.; Camblor, M. A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1601
• a: 8.1795 ± 0.0015 Å
• b: 14.494 ± 0.003 Å
• c: 26.543 ± 0.004 Å
• α: 90°
• β: 97.8 ± 0.013°
• γ: 90°
• Cell volume: 3117.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1958
• Weighted residual factors for significantly intense reflections: 0.1425
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No