Information card for entry 7060903

Structure parameters

• Common name: 4,6-dimethoxy-6b,10,10-trimethyl-3-phenyl-3,6b,7,8,9,10-hexahydro-1H-indeno[1,2,3-de]isochromene
• Formula: C26 H30 O3
• Calculated formula: C26 H30 O3
• Title of publication: The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations
• Authors of publication: Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 16248 - 16253
• a: 15.149 ± 0.005 Å
• b: 7.696 ± 0.003 Å
• c: 19.735 ± 0.006 Å
• α: 90°
• β: 104.073 ± 0.008°
• γ: 90°
• Cell volume: 2231.8 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No