Information card for entry 2200897

Structure parameters

• Common name: Matricarin
• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: O=C1C2=C(C[C@H](OC(=O)C)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@H]2C(=C1)C)C
• Title of publication: Matricarin
• Authors of publication: Parvez, Masood; Ahmad, Viqar Uddin; Farooq, Umar; Jassbi, Amir Reza; Raziullah, Hussaini S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o324 - o325
• a: 10.2083 ± 0.0002 Å
• b: 7.5434 ± 0.0002 Å
• c: 11.0118 ± 0.0003 Å
• α: 90°
• β: 109.677 ± 0.001°
• γ: 90°
• Cell volume: 798.45 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes