Information card for entry 1517791

Structure parameters

• Formula: C23 H27 N3 O7
• Calculated formula: C23 H27 N3 O7
• SMILES: c1cc2c(cc1)c(=O)c1c(C(=O)N(C1N(C(=O)OCC)NC(=O)OCC)C1CCCCC1)o2
• Title of publication: Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition‒amination reaction
• Authors of publication: Terzidis, Michael A.; Tsiaras, Vassilios G.; Drosos, Nicolaos M.; Kasapidou, Paraskevi M.; Stephanidou-Stephanatou, Julia; Tsoleridis, Constantinos A.; Buth, Gernot; Kostakis, George E.
• Journal of publication: Tetrahedron Letters
• Year of publication: 2014
• Journal volume: 55
• Journal issue: 41
• Pages of publication: 5601 - 5604
• a: 5.4515 ± 0.0004 Å
• b: 29.25 ± 0.002 Å
• c: 14.0037 ± 0.0009 Å
• α: 90°
• β: 99.689 ± 0.005°
• γ: 90°
• Cell volume: 2201.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.352
• Weighted residual factors for all reflections included in the refinement: 0.3598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.497
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No