Information card for entry 2009078

Structure parameters

• Chemical name: Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene
• Formula: C34 H25 N O3
• Calculated formula: C34 H25 N O3
• SMILES: N1(c2c([C@]3(O[C@H]4[C@H]5C(=C(c6ccccc6)c6ccccc6)[C@H](c6c5cccc6)[C@@H]34)C1=O)cccc2)C(=O)C.N1(c2c([C@@]3(O[C@@H]4[C@@H]5C(=C(c6ccccc6)c6ccccc6)[C@@H](c6c5cccc6)[C@H]34)C1=O)cccc2)C(=O)C
• Title of publication: 1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one
• Authors of publication: S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1674 - 1675
• a: 9.0605 ± 0.0002 Å
• b: 17.8725 ± 0.0001 Å
• c: 31.4066 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5085.79 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No