Information card for entry 1517866

Structure parameters

• Chemical name: 4-(1,2,3,8a,9,9a,10,10a-octahydroanthracen-9-yl)morpholine
• Formula: C18 H23 N O
• Calculated formula: C18 H23 N O
• SMILES: O1CCN([C@H]2[C@H]3C(=CCCC3)Cc3c2cccc3)CC1.O1CCN([C@@H]2[C@@H]3C(=CCCC3)Cc3c2cccc3)CC1
• Title of publication: Domino Formation of Enamines - Intramolecular Cyclizations to 1-Aminotetralins from γ-Arylallene Aldehydes and Amines.
• Authors of publication: Gobé, Valérian; Retailleau, Pascal; Guinchard, Xavier
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5438 - 5441
• a: 8.618 ± 0.001 Å
• b: 16.963 ± 0.001 Å
• c: 10.051 ± 0.001 Å
• α: 90°
• β: 95.087 ± 0.003°
• γ: 90°
• Cell volume: 1463.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No