Information card for entry 8101459

Structure parameters

• Formula: C20 H29 Cl N2 O2
• Calculated formula: C20 H29 Cl N2 O2
• SMILES: [Cl-].O=C1N(C(=O)C[C@@]21CCCc1ccccc21)CCC[NH+](CC)CC
• Title of publication: Crystal structure and absolute configuration of 1'-[3-(diethylamino) propyl]-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidine-2',5'-dione hydrochloride, RAC-109 I ·HCl, C20H28N2O2 · HCl
• Authors of publication: Csöregh, Ingeborg; Sandberg, Rune
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 227 - 229
• a: 7.0746 ± 0.0002 Å
• b: 8.8235 ± 0.0003 Å
• c: 16.0023 ± 0.0008 Å
• α: 84.671 ± 0.005°
• β: 89.926 ± 0.004°
• γ: 85.615 ± 0.006°
• Cell volume: 991.66 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.043
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No