Information card for entry 1555478

Structure parameters

• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: O1Cc2c(c3ccccc3)cc3n(c4c(c3c2C1CC)cccc4)C
• Title of publication: Synthesis of Fused Carbazoles by Gold-Catalyzed Tricyclization of Conjugated Diynes via Rearrangement of an N-Propargyl Group.
• Authors of publication: Taguchi, Masamitsu; Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6250 - 6253
• a: 12.2975 ± 0.0008 Å
• b: 14.2131 ± 0.0009 Å
• c: 10.3046 ± 0.0007 Å
• α: 90°
• β: 107.61 ± 0.005°
• γ: 90°
• Cell volume: 1716.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0466
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No