Information card for entry 7238640

Structure parameters

• Common name: 9a,11,11-Trimethyl-9a,12a-dihydrophenanthro(9',10':4,5) furo(2,3-d)(1,3)dioxole
• Chemical name: 9a,11,11-Trimethyl-9a,12a-dihydrophenanthro[9',10':4,5] furo[2,3-d][1,3]dioxole
• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• Title of publication: Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products
• Authors of publication: Surya Prakash Rao, H.; Vijjapu, Satish
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 17
• Pages of publication: 6773
• a: 8.1778 ± 0.0002 Å
• b: 8.9545 ± 0.0003 Å
• c: 21.7298 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.23 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No