Information card for entry 2202398

Structure parameters

• Chemical name: 1,2,3,4-Tetrahydro-4'-furfuryl-1'-methylnaphthene-2-spiro-3'-pyrrolidine-2'- spiro-1''-acenaphthene-1,2''-dione
• Formula: C29 H23 N O3
• Calculated formula: C29 H23 N O3
• SMILES: N1([C@@]2([C@@]3([C@H](C1)c1ccco1)C(=O)c1ccccc1CC3)c1cccc3cccc(c13)C2=O)C.N1([C@]2([C@]3([C@@H](C1)c1ccco1)C(=O)c1ccccc1CC3)c1cccc3cccc(c13)C2=O)C
• Title of publication: 1,2,3,4-Tetrahydro-4'-furfuryl-1'-methylnaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthene-1,2''-dione
• Authors of publication: M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; R. Rathna Durga; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1875 - o1877
• a: 11.9109 ± 0.0007 Å
• b: 11.3292 ± 0.0007 Å
• c: 17.3573 ± 0.001 Å
• α: 90°
• β: 103.993 ± 0.001°
• γ: 90°
• Cell volume: 2272.7 ± 0.2 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: 0.0807
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes