Information card for entry 4025435

Structure parameters

• Formula: C21 H25 Cl3 N2 O2
• Calculated formula: C21 H25 Cl3 N2 O2
• Title of publication: Concise Total Syntheses of (\±)-Strychnine and (\±)-Akuammicine
• Authors of publication: Gopal Sirasani; Tapas Paul; William Dougherty; Scott Kassel; Rodrigo B. Andrade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3529 - 3532
• a: 10.1157 ± 0.0019 Å
• b: 10.7 ± 0.002 Å
• c: 11.006 ± 0.002 Å
• α: 88.025 ± 0.004°
• β: 78.525 ± 0.004°
• γ: 62.262 ± 0.003°
• Cell volume: 1031 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No