Information card for entry 2012516

Structure parameters

• Chemical name: anti-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]
• Formula: C22 H18 N2 O6
• Calculated formula: C22 H18 N2 O6
• SMILES: O=C(N1c2ccccc2[C@]2(O[C@@H]3N(c4ccccc4[C@]23OC(=O)C)C(=O)C)C1=O)C.O=C(N1c2ccccc2[C@@]2(O[C@H]3N(c4ccccc4[C@@]23OC(=O)C)C(=O)C)C1=O)C
• Title of publication: Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]
• Authors of publication: Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o59 - o62
• a: 14.531 ± 0.0002 Å
• b: 8.7676 ± 0.0001 Å
• c: 30.0679 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3830.71 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes