Information card for entry 2240353

Structure parameters

• Chemical name: 1',1''-Dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>- indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Formula: C30 H27 Cl N4 O
• Calculated formula: C30 H27 Cl N4 O
• SMILES: CN1C[C@@H]([C@@]2([C@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)Cl.CN1C[C@H]([C@]2([C@@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)Cl
• Title of publication: Crystal structure of 1',1''-dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Authors of publication: Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o68 - o69
• a: 22.422 ± 0.0013 Å
• b: 14.3498 ± 0.0009 Å
• c: 17.2811 ± 0.0009 Å
• α: 90°
• β: 116.847 ± 0.002°
• γ: 90°
• Cell volume: 4960.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes