Information card for entry 7154551

Structure parameters

• Formula: C36 H36 N4 O3 S
• Calculated formula: C36 H36 N4 O3 S
• Title of publication: One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.
• Authors of publication: Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8211 - 8220
• a: 11.299 ± 0.002 Å
• b: 11.724 ± 0.002 Å
• c: 14.051 ± 0.003 Å
• α: 104.1 ± 0.03°
• β: 103.64 ± 0.03°
• γ: 108.92 ± 0.03°
• Cell volume: 1604 ± 0.8 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: 0.064
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No