Information card for entry 7219907

Structure parameters

• Formula: C34 H26 N2
• Calculated formula: C34 H26 N2
• SMILES: [C@H]1([C@H](C=CC1=C(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12)c1c[nH]c2c1cccc2.[C@@H]1([C@@H](C=CC1=C(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12)c1c[nH]c2c1cccc2
• 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: 15.594 ± 0.005 Å
• b: 9.946 ± 0.005 Å
• c: 17.135 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.11 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2511.1 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No