Information card for entry 2008235

Structure parameters

• Common name: Homolycorine Hydrochloride dihydrate
• Chemical name: (1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one
• Formula: C18 H26 Cl N O6
• Calculated formula: C18 H24 Cl N O6
• SMILES: [Cl-].O1[C@@H]2CC=C3[C@@H]([NH+](CC3)C)[C@@H]2c2c(C1=O)cc(OC)c(OC)c2.O.O
• Title of publication: Homolycorine hydrochloride dihydrate
• Authors of publication: Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 385 - 387
• a: 11.173 ± 0.004 Å
• b: 7.324 ± 0.005 Å
• c: 12.024 ± 0.008 Å
• α: 90°
• β: 97.82 ± 0.04°
• γ: 90°
• Cell volume: 974.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes