Information card for entry 7221574

Structure parameters

• Common name: 5-(2,4,6-triisopropylphenyl)-2-formylpyrrole
• Chemical name: 5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde
• Formula: C20 H27 N O
• Calculated formula: C20 H27 N O
• Title of publication: Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles
• Authors of publication: Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 6406
• a: 8.6799 ± 0.0013 Å
• b: 9.8371 ± 0.0013 Å
• c: 12.608 ± 0.002 Å
• α: 72.477 ± 0.007°
• β: 70.308 ± 0.005°
• γ: 65.232 ± 0.004°
• Cell volume: 904.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No