Information card for entry 7219908

Structure parameters

• Chemical name: sc_585_2
• Formula: C23 H29 N3 O4
• Calculated formula: C23 H29 N3 O4
• SMILES: [C@H]1(c2c3ccccc3n(C)c2)C=CC(=C(C)C)[C@@H]1N(C(=O)OCC)NC(=O)OCC.[C@@H]1(c2c3ccccc3n(C)c2)C=CC(=C(C)C)[C@H]1N(C(=O)OCC)NC(=O)OCC
• Title of publication: Lewis Acid Catalyzed C-3 Alkylidenecyclopentenylation of Indoles: An Easy Access to Functionalized Indoles and Bisindoles
• Authors of publication: K. V., Radhakrishnan; Chand, S. Sarath; B. S, Sasidhar; Prakash, Praveen; P., Sasikumar; Preethalayam, Preethanuj; Jaroschik, Florian; Harakat, Dominique; Vasse, Jean-Luc
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5916 ± 0.0002 Å
• b: 9.5191 ± 0.0003 Å
• c: 14.2137 ± 0.0004 Å
• α: 81.178 ± 0.001°
• β: 86.572 ± 0.001°
• γ: 87.392 ± 0.001°
• Cell volume: 1145.87 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No