Information card for entry 7214116

Structure parameters

• Formula: C25 H19 N O5
• Calculated formula: C25 H19 N O5
• SMILES: c1cccc2C(=O)[C@@]3(C(=CN([C@@]3(c12)O)c1ccc(cc1)OC)C(=O)c1ccccc1)O.c1cccc2C(=O)[C@]3(C(=CN([C@]3(c12)O)c1ccc(cc1)OC)C(=O)c1ccccc1)O
• Title of publication: An eco-friendly three-component regio- and stereoselective synthesis of highly functionalized dihydroindeno[1,2-b]pyrroles under grinding
• Authors of publication: Muthusaravanan, Sivasubramanian; Sasikumar, Chinnathambi; Devi Bala, Balasubramanian; Perumal, Subbu
• Journal of publication: Green Chemistry
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1297
• a: 20.6371 ± 0.0005 Å
• b: 11.0516 ± 0.0004 Å
• c: 20.5751 ± 0.0006 Å
• α: 90°
• β: 119.356 ± 0.001°
• γ: 90°
• Cell volume: 4090 ± 0.2 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: 0.0723
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No