Information card for entry 1507334

Structure parameters

• Formula: C17 H24 Cl N O
• Calculated formula: C17 H24 Cl N O
• SMILES: [Cl-].O(c1ccc2[C@H]([C@H]3[C@H]([NH2+]c2c1)C(CC3)(C)C)C=C)C.[Cl-].O(c1ccc2[C@@H]([C@@H]3[C@@H]([NH2+]c2c1)C(CC3)(C)C)C=C)C
• Title of publication: Efficient construction of cyclopenta[b]quinoline core of isoschizozygane alkaloids via intramolecular formal hetero-Diels-Alder reaction.
• Authors of publication: Magomedov, Nabi A.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2509 - 2512
• a: 14.8243 ± 0.001 Å
• b: 12.3639 ± 0.0008 Å
• c: 17.7016 ± 0.0012 Å
• α: 90°
• β: 101.295 ± 0.001°
• γ: 90°
• Cell volume: 3181.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No