Information card for entry 1507814

Structure parameters

• Chemical name: 1-methyl-2,3,7-trimethoxyphenanthren-9-10-chinon
• Formula: C18 H16 O5
• Calculated formula: C18 H16 O5
• Title of publication: Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.
• Authors of publication: Trosien, Simon; Waldvogel, Siegfried R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 2976 - 2979
• a: 24.3452 ± 0.0014 Å
• b: 8.79 ± 0.0004 Å
• c: 13.733 ± 0.0009 Å
• α: 90°
• β: 103.263 ± 0.005°
• γ: 90°
• Cell volume: 2860.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No