Information card for entry 7219560

Structure parameters

• Chemical name: 1-Methyl-5'H-spiro[indoline-3,4'-pyrrolo[1,2-a]quinoxalin]-2-one
• Formula: C19 H15 N3 O
• Calculated formula: C19 H15 N3 O
• SMILES: n12c3c(NC4(c5c(N(C4=O)C)cccc5)c1ccc2)cccc3
• Title of publication: An eco-friendly Pictet-Spengler approach to pyrrolo- and indolo[1,2-a]quinoxalines using p-dodecylbenzenesulfonic acid as an efficient Brønsted acid catalyst
• Authors of publication: Nath, Mahendra; Preetam, Amreeta
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.1561 ± 0.0004 Å
• b: 10.424 ± 0.0004 Å
• c: 17.6525 ± 0.001 Å
• α: 90°
• β: 97.994 ± 0.005°
• γ: 90°
• Cell volume: 1486.22 ± 0.13 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: 0.0575
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No