Information card for entry 2005360

Structure parameters

• Chemical name: Racemic 1,1'-o-Xylylene-bis[3,5-dimethyl-hexahydro- s-triazine-2,4(1H,3H)-dione-6-spiro-9''-fluorene]
• Formula: C42 H36 N6 O4
• Calculated formula: C42 H36 N6 O4
• SMILES: CN1C(=O)N(Cc2ccccc2CN2C(=O)N(C)C(=O)N(C32c2ccccc2c2c3cccc2)C)C2(N(C1=O)C)c1ccccc1c1c2cccc1
• Title of publication: Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione]
• Authors of publication: Robinson, P. D.; Gong, Y.; Bausch, M. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2337 - 2340
• a: 14.153 ± 0.006 Å
• b: 14.054 ± 0.004 Å
• c: 17.959 ± 0.004 Å
• α: 90°
• β: 102.9 ± 0.02°
• γ: 90°
• Cell volume: 3482 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No