Information card for entry 8101356

Structure parameters

• Formula: C21 H29 N O
• Calculated formula: C21 H29 N O
• SMILES: C1CC[C@@H]2[C@H]([C@@H](C=C[C@H]12)CCCCC)C(=O)Nc1ccccc1.C1CC[C@H]2[C@@H]([C@H](C=C[C@@H]12)CCCCC)C(=O)Nc1ccccc1
• Title of publication: Crystal structure of 5-(1-pentyl)-2,3,3aα,4,5,7aα-hexahydroindene- 4α-carboxanilide, C~21~H~29~NO
• Authors of publication: Kaltia, Seppo; Matikainen, Jorma; Hase, Tapio; Mutikainen, Ilpo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 585 - 586
• a: 16.775 ± 0.003 Å
• b: 9.539 ± 0.002 Å
• c: 23.524 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3764.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2029
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No