Information card for entry 1506243

Structure parameters

• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: O=C(OC)C1=CCCCC1c1cn(c2c1cccc2)C
• Title of publication: Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.
• Authors of publication: Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4959 - 4961
• a: 20.5365 ± 0.0005 Å
• b: 5.2508 ± 0.0001 Å
• c: 26.4263 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2849.63 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No