Information card for entry 2210451

Structure parameters

• Common name: SYP-185
• Chemical name: Isopropylideneamino 12H-dibenzo[d,g][1,3]dioxocine-6-carboxylate
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: O1c2c(Cc3c(OC1C(=O)ON=C(C)C)cccc3)cccc2
• Title of publication: Isopropylideneamino-12<i>H</i>-dibenzo[<i>d</i>,<i>g</i>][1,3]dioxocine-6-carboxylate
• Authors of publication: Jin, Rui-Fa; Ji, Hai-Ying; Xiang, Dong; Li, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3699 - o3700
• a: 14.542 ± 0.004 Å
• b: 40.468 ± 0.011 Å
• c: 10.874 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6399 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes