Information card for entry 2239656

Structure parameters

• Chemical name: 5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone
• Formula: C30 H25 N3 O5
• Calculated formula: C30 H25 N3 O5
• SMILES: c1ccccc1c1ccc(cc1)C1C2(CC3(C(=O)c4c(C3=O)cccc4)N1C)C(=O)N(C(=O)N(C2=O)C)C
• Title of publication: 5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone
• Authors of publication: Subramanyahegde; Amar, Hosamani; Shivaraj, Yellappa; Vijayakumar, Giriyapura R.; Palakshamurthy, Bandrehalli Siddagangaiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o759
• a: 8.3301 ± 0.001 Å
• b: 26.07 ± 0.004 Å
• c: 12.0441 ± 0.0014 Å
• α: 90°
• β: 94.496 ± 0.006°
• γ: 90°
• Cell volume: 2607.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes