Information card for entry 2206211

Structure parameters

• Common name: Bis(kokusaginine)trihydrate
• Chemical name: 4,6,7-Trimethoxyfuro[2,3-b]quinoline‒water (2/3)
• Formula: C28 H32 N2 O11
• Calculated formula: C28 H32 N2 O11
• SMILES: o1ccc2c(OC)c3cc(OC)c(OC)cc3nc12.o1ccc2c(OC)c3cc(OC)c(OC)cc3nc12.O.O.O
• Title of publication: 4,6,7-Trimethoxyfuro[2,3-<i>b</i>]quinoline‒water (2/3)
• Authors of publication: Latip, Jalifah; Ali, Noor Hapeedah. M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2230 - o2232
• a: 11.155 ± 0.002 Å
• b: 7.0897 ± 0.0016 Å
• c: 17.488 ± 0.004 Å
• α: 90°
• β: 99.313 ± 0.003°
• γ: 90°
• Cell volume: 1364.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes