Information card for entry 7220893

Structure parameters

• Chemical name: 6-bromo-4a-isopropyl-2-methyl-2,3,4,4a-tetrahydro-1H-carbazole
• Formula: C16 H20 Br N
• Calculated formula: C16 H20 Br N
• SMILES: Brc1ccc2N=C3[C@@](c2c1)(C(C)C)CC[C@H](C3)C
• Title of publication: Regioselective Synthesis of Novel 2,3,4,4a-tetrahydro-1H-carbazoles and their Cholinesterase Inhibitory Activities
• Authors of publication: Khan, Maria Aqeel; Fazal-ur-Rehman, Saba; Hameed, Abdul; Kousar, Shazia; Dalvandi, Kourosh; Yousuf, Sammer; Choudhary, Muhammad I.; Basha, Fatima Z.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.518 ± 0.0012 Å
• b: 6.7119 ± 0.0009 Å
• c: 11.6243 ± 0.0014 Å
• α: 90°
• β: 90.85 ± 0.003°
• γ: 90°
• Cell volume: 742.52 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No