Information card for entry 2227275

Structure parameters

• Chemical name: 4-<i>tert</i>-Butyl-4'-(4-methoxyphenyl)-3'-(4-methylphenyl)- 1,2,3,4-tetrahydrospiro[naphthalene-2,5'(4'<i>H</i>)-1,2-oxazol]-1-one
• Formula: C30 H31 N O3
• Calculated formula: C30 H31 N O3
• SMILES: O1N=C([C@H]([C@@]21C(=O)c1c([C@H](C2)C(C)(C)C)cccc1)c1ccc(OC)cc1)c1ccc(cc1)C.O1N=C([C@@H]([C@]21C(=O)c1c([C@@H](C2)C(C)(C)C)cccc1)c1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: 4-<i>tert</i>-Butyl-4'-(4-methoxyphenyl)-3'-(4-methylphenyl)-1,2,3,4-tetrahydrospiro[naphthalene-2,5'(4'<i>H</i>)-1,2-oxazol]-1-one
• Authors of publication: Akhazzane, Mohamed; Zouihri, Hafid; Daoudi, Maria; Kerbal, Abdelali; Al Houari, Ghali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3040
• a: 6.9248 ± 0.0003 Å
• b: 24.7919 ± 0.0012 Å
• c: 14.2111 ± 0.0007 Å
• α: 90°
• β: 94.46 ± 0.002°
• γ: 90°
• Cell volume: 2432.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1129
• 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: No
• Has Fobs: Yes