Information card for entry 1559260

Structure parameters

• Common name: Benzothiazolo[2,3-a]isoindolone
• Formula: C27 H23 N O S
• Calculated formula: C27 N O S
• SMILES: S1c2ccccc2N2C(=O)[C@@H]3[C@@H]4[C@H](C[C@H]([C@@H]3[C@@]12c1ccccc1)C4)c1ccccc1.S1c2ccccc2N2C(=O)[C@H]3[C@H]4[C@@H](C[C@@H]([C@H]3[C@]12c1ccccc1)C4)c1ccccc1
• Title of publication: X-Ray Study of a Pentacyclic Partially Saturated Benzothiazolo[2,3-a]isoindolone
• Authors of publication: Pihlaja, Kalevi; Sillanpaa, Reijo; Stajer, Geza; Frimpong-Manso, Samuel
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 1021 - 1023
• a: 13.949 ± 0.004 Å
• b: 10.691 ± 0.003 Å
• c: 15.203 ± 0.003 Å
• α: 90°
• β: 110 ± 0.02°
• γ: 90°
• Cell volume: 2130.5 ± 1 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No