Information card for entry 7060904

Structure parameters

• Common name: 6,8-dimethoxy-4,5,5-trimethyl-3-(p-tolyl)-3,5-dihydro-1H-cyclopenta[de]isochromene
• Formula: C23 H26 O3
• Calculated formula: C23 H26 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: 12.435 ± 0.008 Å
• b: 10.019 ± 0.007 Å
• c: 15.766 ± 0.01 Å
• α: 90°
• β: 100.344 ± 0.009°
• γ: 90°
• Cell volume: 1932 ± 2 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: 0.0899
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No