Information card for entry 7156488

Structure parameters

• Formula: C24 H21 Br O
• Calculated formula: C24 H21 Br O
• Title of publication: An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.
• Authors of publication: Yaragorla, Srinivasarao; Khan, Tabassum
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 7920 - 7925
• a: 11.7077 ± 0.0018 Å
• b: 9.7297 ± 0.0013 Å
• c: 18.751 ± 0.002 Å
• α: 90°
• β: 116.691 ± 0.008°
• γ: 90°
• Cell volume: 1908.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No