Information card for entry 2215210

Structure parameters

• Chemical name: 2,3-Dimethoxy-6,7-methylenedioxyphenanthrene
• Formula: C17 H14 O4
• Calculated formula: C17 H14 O4
• SMILES: O1c2c(OC1)cc1ccc3cc(OC)c(OC)cc3c1c2
• Title of publication: 2,3-Dimethoxy-6,7-methylenedioxyphenanthrene
• Authors of publication: Yuan-Xing Wang; Chong-Bo Liu; Zhi-Jie Fang; Hui-Liang Wen; Ming-Yong Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3905 - o3905
• a: 7.37 ± 0.002 Å
• b: 18.375 ± 0.005 Å
• c: 9.84 ± 0.003 Å
• α: 90°
• β: 96.363 ± 0.004°
• γ: 90°
• Cell volume: 1324.4 ± 0.6 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: 0.151
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes