Information card for entry 7202637

Structure parameters

• Formula: C35 H54 N2 O4
• Calculated formula: C35 H54 N2 O4
• SMILES: c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(=O)NCC(C)(C)CNC(=O)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O
• Title of publication: Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides
• Authors of publication: Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 746
• a: 23.029 ± 0.004 Å
• b: 25.201 ± 0.005 Å
• c: 12.087 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7015 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No