Information card for entry 8105746

Structure parameters

• Chemical name: 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• SMILES: Oc1ccc(Cc2c3CCc4cc(O)ccc4c3c(OC)cc2O)cc1
• Title of publication: Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4
• Authors of publication: Liu, Mei-Feng; Zhang, Xing-Yu; Du, Yi-Mei; Chen, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 547 - 549
• a: 11.355 ± 0.005 Å
• b: 15.084 ± 0.007 Å
• c: 20.078 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3439 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No