Information card for entry 7050010

Structure parameters

• Common name: 3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2- carboxylic acid ethyl ester
• Chemical name: 3-(4-Dimethylamino-2,6-dimethyl-phenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
• Formula: C23 H26 N2 O2
• Calculated formula: C23 H26 N2 O2
• Title of publication: A study of the effects of subunit pre-orientation for diarylpyrrole esters; design of new aryl-heteroaryl fluorescent sensors
• Authors of publication: John Killoran; John F. Gallagher; Paul V. Murphy; Donal F. O'Shea
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 1258
• a: 7.6973 ± 0.0005 Å
• b: 9.3729 ± 0.0006 Å
• c: 14.0807 ± 0.001 Å
• α: 83.347 ± 0.001°
• β: 82.391 ± 0.001°
• γ: 79.132 ± 0.001°
• Cell volume: 984.54 ± 0.11 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: 0.0541
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No