Information card for entry 7201784

Structure parameters

• Formula: C24 H27 N O2
• Calculated formula: C24 H27 N O2
• SMILES: O=C([O-])C(c1ccccc1)(c1ccccc1)c1ccccc1.[NH3+]C(C)(C)C
• Title of publication: Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon
• Authors of publication: Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 263
• a: 24.3976 ± 0.0004 Å
• b: 14.4444 ± 0.0003 Å
• c: 24.3798 ± 0.0004 Å
• α: 90°
• β: 94.7956 ± 0.0008°
• γ: 90°
• Cell volume: 8561.6 ± 0.3 ų
• Cell temperature: 213.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No