Information card for entry 2205447

Structure parameters

• Common name: Guieranone
• Chemical name: (E)-1-(1,3,6,8-Tetramethoxynaphthalen-2-yl)but-2-en-1-one
• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: O(c1cc(OC)cc2cc(OC)c(c(OC)c12)C(=O)/C=C/C)C
• Title of publication: (<i>E</i>)-1-(1,3,6,8-Tetramethoxynaphthalen-2-yl)but-2-en-1-one
• Authors of publication: M. Iqbal Choudhary; Alain Meli Lannang; Shamsher Ali; Shazia Anjum; Fernande Ngounou Ngninzeko; David Lontsi; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1015 - o1017
• a: 8.2731 ± 0.0018 Å
• b: 25.493 ± 0.006 Å
• c: 8.1129 ± 0.0018 Å
• α: 90°
• β: 101.443 ± 0.003°
• γ: 90°
• Cell volume: 1677 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes