Information card for entry 1513833

Structure parameters

• Formula: C23 H19 Br I N O
• Calculated formula: C23 H19 Br I N O
• SMILES: Ic1c(C(=O)n2c3c(cc(Br)cc3)c3c2cccc3)c(ccc1)C(C)(C)C
• Title of publication: A complete gear system in N-benzoyl-carbazole derivatives.
• Authors of publication: Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1514 - 1517
• a: 8.90819 ± 0.00016 Å
• b: 9.29032 ± 0.00017 Å
• c: 48.8609 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4043.72 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No