Information card for entry 4037552

Structure parameters

• Formula: C29 H27 N O5
• Calculated formula: C29 H27 N O5
• SMILES: O(C(=O)C1(C[C@@H](c2[nH]c3c(c2[C@@H]1c1ccccc1)cccc3)c1ccc(OC)cc1)C(=O)OC)C.O(C(=O)C1(C[C@H](c2[nH]c3c(c2[C@H]1c1ccccc1)cccc3)c1ccc(OC)cc1)C(=O)OC)C
• Title of publication: Lewis Acid-Catalyzed [3+3] Annulation of Donor-Acceptor Cyclopropanes and Indonyl Alcohols: One Step Synthesis of Substituted Carbazoles with Promising Photophysical Properties.
• Authors of publication: Varshnaya, Rohit Kumar; Banerjee, Prabal
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1614 - 1623
• a: 11.6427 ± 0.0006 Å
• b: 26.7219 ± 0.0012 Å
• c: 16.0346 ± 0.0008 Å
• α: 90°
• β: 100.857 ± 0.002°
• γ: 90°
• Cell volume: 4899.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1553
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No