Information card for entry 2211325

Structure parameters

• Chemical name: 7-Methyl-9-(4-methylbenzylidene)-1-(4-methylphenyl)-3,4-diphenyl- 2-oxa-3,7-diazaspiro[4.5]decan-10-one
• Formula: C35 H34 N2 O2
• Calculated formula: C35 H34 N2 O2
• SMILES: O=C1[C@@]2([C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)c2ccc(cc2)C)CN(C/C1=C\c1ccc(cc1)C)C.O=C1[C@]2([C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)c2ccc(cc2)C)CN(C/C1=C\c1ccc(cc1)C)C
• Title of publication: 7-Methyl-9-(4-methylbenzylidene)-1-(4-methylphenyl)-3,4-diphenyl-2-oxa-3,7-diazaspiro[4.5]decan-10-one
• Authors of publication: J. Suresh; R. Ranjith Kumar; S. Perumal; A. Mostad; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5356 - o5358
• a: 11.131 ± 0.002 Å
• b: 14.206 ± 0.003 Å
• c: 18.016 ± 0.004 Å
• α: 90°
• β: 99.32 ± 0.03°
• γ: 90°
• Cell volume: 2811.2 ± 1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes