Information card for entry 7121813

Structure parameters

• Formula: C13 H16 N2 O2
• Calculated formula: C13 H16 N2 O2
• Title of publication: Synthesis of functionalized pyrroloindolines via a visible-light-induced radical cascade reaction: rapid synthesis of (±)-flustraminol B.
• Authors of publication: Wu, Kui; Du, Yuliu; Wei, Zheng; Wang, Ting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 54
• Pages of publication: 7443 - 7446
• a: 28.7011 ± 0.0014 Å
• b: 9.388 ± 0.0005 Å
• c: 8.9139 ± 0.0004 Å
• α: 90°
• β: 99.23 ± 0.002°
• γ: 90°
• Cell volume: 2370.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No