Information card for entry 7126350

Structure parameters

• Formula: C20 H27 N3 O
• Calculated formula: C20 H27 N3 O
• Title of publication: Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.
• Authors of publication: Sathish Kumar, B.; Pati, Narendra N.; Jose, K. V. Jovan; Panda, Pradeepta K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5637 - 5640
• a: 18.2435 ± 0.0015 Å
• b: 11.4952 ± 0.0009 Å
• c: 18.5875 ± 0.0012 Å
• α: 90°
• β: 110.086 ± 0.002°
• γ: 90°
• Cell volume: 3660.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0503
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No