Information card for entry 7126348

Structure parameters

• Formula: C20 H23 N3
• Calculated formula: C20 H23 N3
• 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: 20.236 ± 0.003 Å
• b: 9.7971 ± 0.0016 Å
• c: 17.139 ± 0.003 Å
• α: 90°
• β: 93.473 ± 0.005°
• γ: 90°
• Cell volume: 3391.6 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No