Information card for entry 2009480

Structure parameters

• Formula: C26 H31 N3 O4
• Calculated formula: C26 H31 N3 O4
• SMILES: CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2
• Title of publication: Structure of OPC-21268
• Authors of publication: Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 302 - 304
• a: 16.768 ± 0.006 Å
• b: 8.958 ± 0.003 Å
• c: 17.243 ± 0.004 Å
• α: 90°
• β: 113.5 ± 0.02°
• γ: 90°
• Cell volume: 2375.2 ± 1.3 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No