Information card for entry 1555112

Structure parameters

• Common name: Arboridinine
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: C12=Nc3c([C@@]41CCN1C[C@]2(C(=C)[C@]([C@@H]4C)(C1)O)C)cccc3
• Title of publication: Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor.
• Authors of publication: Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3628 - 3631
• a: 7.4987 ± 0.0002 Å
• b: 12.2482 ± 0.0003 Å
• c: 16.8063 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1543.58 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No