Information card for entry 7126349

Structure parameters

• Formula: C24 H25 N3
• Calculated formula: C24 H25 N3
• SMILES: [nH]1c2c3c(c4[nH]c(C(c5[nH]c(C(c1cc2)(C)C)cc5)(C)C)cc4)cccc3
• 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: 11.3125 ± 0.0017 Å
• b: 9.7429 ± 0.0013 Å
• c: 17.745 ± 0.003 Å
• α: 90°
• β: 95.103 ± 0.005°
• γ: 90°
• Cell volume: 1948 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No