Information card for entry 7131855

Structure parameters

• Common name: ORGANIC
• Chemical name: spiro-indolocyclopentene
• Formula: C19 H16 Br N S
• Calculated formula: C19 H16 Br N S
• SMILES: Brc1cc2C3(C(=S)N(c2cc1)Cc1ccccc1)CC=CC3
• Title of publication: Base-mediated cascade synthesis of indole diolefins: a route to spiro[cyclopentene-indole]thiones and thiepino[2,3-<i>b</i>]indoles.
• Authors of publication: Muthusamy, Sengodagounder; Naveen, Ramasamy; Kumar, Muniyappankovilthottam Devaraj Senthil
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 55
• Pages of publication: 8560 - 8563
• a: 9.382 ± 0.002 Å
• b: 10.472 ± 0.002 Å
• c: 17.945 ± 0.004 Å
• α: 88.563 ± 0.006°
• β: 78.673 ± 0.006°
• γ: 72.965 ± 0.006°
• Cell volume: 1651.9 ± 0.6 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.2098
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No