Information card for entry 7153682

Structure parameters

• Chemical name: 6-Methoxy-<i>9H</i>-2,9'-bicarbazole
• Formula: C25 H18 N2 O
• Calculated formula: C25 H18 N2 O
• SMILES: n1(c2ccccc2c2ccccc12)c1cc2[nH]c3ccc(OC)cc3c2cc1
• Title of publication: Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.
• Authors of publication: Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 2596 - 2605
• a: 12.6024 ± 0.0005 Å
• b: 7.6803 ± 0.0002 Å
• c: 19.048 ± 0.0007 Å
• α: 90°
• β: 102.443 ± 0.002°
• γ: 90°
• Cell volume: 1800.35 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No