Information card for entry 4516033

Structure parameters

• Formula: C21 H30 Cl N O2
• Calculated formula: C21 H30 Cl N O2
• SMILES: c1(c2CCCCc2c2c(c1)[C@]1(C[C@@H]2C[C@@H]2[C@H]1CC[C@@H]([NH+]2C)C)O)O.[Cl-]
• Title of publication: Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
• Authors of publication: Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 1912 - 1921
• a: 10.1135 ± 0.0003 Å
• b: 8.7052 ± 0.0001 Å
• c: 11.4139 ± 0.0003 Å
• α: 90°
• β: 113.189 ± 0.003°
• γ: 90°
• Cell volume: 923.7 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No