Information card for entry 2009365

Structure parameters

• Formula: C23 H21 N O4
• Calculated formula: C23 H21 N O4
• SMILES: O=C([C@@H]1Oc2c(C)c3n(c2C=C([C@]1(C)O)C(=O)C)cccc3)c1ccccc1.O=C([C@H]1Oc2c(C)c3n(c2C=C([C@@]1(C)O)C(=O)C)cccc3)c1ccccc1
• Title of publication: Structure of an oxepino[2,3-<i>b</i>]indolizine derivative
• Authors of publication: Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 139 - 141
• a: 23.204 ± 0.003 Å
• b: 11.22 ± 0.002 Å
• c: 16.139 ± 0.003 Å
• α: 90°
• β: 110.95 ± 0.01°
• γ: 90°
• Cell volume: 3924 ± 1.2 ų
• Cell temperature: 297 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No