Information card for entry 1517076

Structure parameters

• Formula: C25 H26 N2 O7
• Calculated formula: C25 H26 N2 O7
• SMILES: O(C(=O)C1(C[C@H](c2c(n(c3ccccc23)C)[C@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C.O(C(=O)C1(C[C@@H](c2c(n(c3ccccc23)C)[C@@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C
• Title of publication: Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.
• Authors of publication: Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 3954 - 3957
• a: 8.398 ± 0.005 Å
• b: 23.088 ± 0.005 Å
• c: 12.083 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.75 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2231.3 ± 1.7 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: 0.0807
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No