Information card for entry 2218334

Structure parameters

• Chemical name: 2,7-Dihydroxy-3,6-dimethoxyphenanthrene
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O(c1cc2c(cc1O)ccc1cc(O)c(OC)cc21)C
• Title of publication: 2,7-Dihydroxy-3,6-dimethoxyphenanthrene from <i>Dehaasia longipedicellata</i>
• Authors of publication: Mukhtar, Mat Ropi; Nafiah, Mohd Azlan; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1135
• a: 11.6268 ± 0.0002 Å
• b: 7.2207 ± 0.0001 Å
• c: 16.5351 ± 0.0002 Å
• α: 90°
• β: 109.196 ± 0.001°
• γ: 90°
• Cell volume: 1311 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes