Information card for entry 2010326

Structure parameters

• Formula: C22 H20 N2 O
• Calculated formula: C22 H20 N2 O
• SMILES: O1c2ccc3ccccc3c2N=C2C(c3ccccc3N(C12)C)(C)C
• Title of publication: Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O
• Authors of publication: Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2096 - 2098
• a: 29.464 ± 0.007 Å
• b: 13.861 ± 0.004 Å
• c: 8.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3477.5 ± 1.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0453
• Goodness-of-fit parameter for significantly intense reflections: 1.54
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No