Information card for entry 4025738

Structure parameters

• Chemical name: (S)-4,4-Diphenyl-3,4-dihydrodibenzo[a,k]phenanthridine ?
• Formula: C33 H23 N
• Calculated formula: C33 H23 N
• SMILES: N1C(c2c(c3c(cccc3)cc2)c2c1ccc1c2cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene
• Authors of publication: Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7010 - 7013
• a: 10.2718 ± 0.001 Å
• b: 9.1068 ± 0.0009 Å
• c: 12.8312 ± 0.0013 Å
• α: 90°
• β: 110.61 ± 0.001°
• γ: 90°
• Cell volume: 1123.45 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No