Information card for entry 4033149

Structure parameters

• Formula: C27 H20 Br N O5
• Calculated formula: C27 H20 Br N O5
• SMILES: Brc1ccc2N(Cc3ccccc3)C(=O)C3(c2c1)C(=O)c1c(C(=C3C(=O)OCC)O)cccc1
• Title of publication: One-Pot Construction of Functionalized Spiro-dihydronaphthoquinone-oxindoles via Hauser-Kraus Annulation of Sulfonylphthalide with 3-Alkylideneoxindoles.
• Authors of publication: Sivasankara, Chenikkayala; Satham, Lakshminarayana; Namboothiri, Irishi N. N.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12939 - 12944
• a: 8.7104 ± 0.0003 Å
• b: 10.2793 ± 0.0003 Å
• c: 13.7385 ± 0.0004 Å
• α: 106.769 ± 0.003°
• β: 108.072 ± 0.003°
• γ: 93.497 ± 0.003°
• Cell volume: 1104.28 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No