Information card for entry 2202976

Structure parameters

• Chemical name: 8-(4-Methoxyphenyl)-3,5-bis[(E)-1-(4-methoxyphenyl)methylidene]- 1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine
• Formula: C34 H31 N O3
• Calculated formula: C34 H31 N O3
• SMILES: O(c1ccc(c2c3c(nc4c2CCC/4=C\c2ccc(OC)cc2)C(=C/c2ccc(OC)cc2)/CC3)cc1)C
• Title of publication: 8-(4-Methoxyphenyl)-3,5-bis[(<i>E</i>)-1-(4-methoxyphenyl)methylidene]-1,2,3,5,6,7-hexahydrodicyclopenta[<i>b</i>,<i>e</i>]pyridine
• Authors of publication: Jonathan D. Crane; John Crompton
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2003 - o2004
• a: 5.8866 ± 0.0007 Å
• b: 10.8186 ± 0.0012 Å
• c: 20.898 ± 0.002 Å
• α: 75.096 ± 0.009°
• β: 85.572 ± 0.01°
• γ: 78.964 ± 0.01°
• Cell volume: 1261.8 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes