Information card for entry 2215043

Structure parameters

• Chemical name: 8-[(<i>E</i>)-4-Methoxybenzylidene]-4-(4-Methoxyphenyl)-3- (3-phenyl-1,2,4-oxadiazol-5-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromen-2-amine
• Formula: C32 H29 N3 O4
• Calculated formula: C32 H29 N3 O4
• SMILES: O1C(=C(C(C2=C1/C(=C/c1ccc(OC)cc1)CCC2)c1ccc(OC)cc1)c1onc(n1)c1ccccc1)N
• Title of publication: 8-[(<i>E</i>)-4-Methoxybenzylidene]-4-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromen-2-ylamine
• Authors of publication: N. Srinivasan; M. Subha Nandhini; R. Ranjithkumar; S. Perumal; R. V. Krishnakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3750 - o3750
• a: 10.5014 ± 0.0003 Å
• b: 11.3187 ± 0.0004 Å
• c: 11.6458 ± 0.0004 Å
• α: 91.07 ± 0.02°
• β: 98.45 ± 0.02°
• γ: 104.1 ± 0.03°
• Cell volume: 1325.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes