Information card for entry 8000176

Structure parameters

• Formula: C46 H54 N2 O6 S2
• Calculated formula: C46 H54 N2 O6 S2
• Title of publication: Synthesis and Structure of Optically Active 1,12-Diethyl- and 1,12-Diisopropylbenzo[c]phenanthrenes: An Isopropyl Group Can Be Smaller than a Methyl Group
• Authors of publication: Sugiura, Hiroki; Sakai, Daisuke; Otani, Harunori; Teranishi, Kazuhiro; Takahira, Yusuke; Amemiya, Ryo; Yamaguchi, Masahiko
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 72
• a: 10.993 ± 0.012 Å
• b: 13.367 ± 0.011 Å
• c: 28.13 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4134 ± 6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No