Information card for entry 2238569

Structure parameters

• Chemical name: 1',1''-Dimethyl-4'-phenyldispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Formula: C30 H28 N4 O
• Calculated formula: C30 H28 N4 O
• SMILES: CN1C[C@H]([C@]2([C@@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccccc1.CN1C[C@@H]([C@@]2([C@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccccc1
• Title of publication: 1',1''-Dimethyl-4'-phenyldispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Authors of publication: Suresh, J.; Nagalakshmi, R. A.; Malathi, K.; Kumar, R. R.; Lakshman, P. L. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1433
• a: 13.447 ± 0.0006 Å
• b: 8.4557 ± 0.0004 Å
• c: 20.858 ± 0.0009 Å
• α: 90°
• β: 90.195 ± 0.002°
• γ: 90°
• Cell volume: 2371.62 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes