Information card for entry 1554871

Structure parameters

• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: O1CCCC2=C1C[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)C)C(C)C.O1CCCC2=C1C[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)C)C(C)C
• Title of publication: Tandem gold-catalyzed dehydrative cyclization/diels-alder reactions: facile access to indolocarbazole alkaloids.
• Authors of publication: Borrero, Nicholas V.; DeRatt, Lindsey G.; Ferreira Barbosa, Lais; Abboud, Khalil A.; Aponick, Aaron
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1754 - 1757
• a: 5.1627 ± 0.0004 Å
• b: 14.8595 ± 0.0012 Å
• c: 17.7219 ± 0.0014 Å
• α: 90°
• β: 96.198 ± 0.001°
• γ: 90°
• Cell volume: 1351.59 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No