Information card for entry 1558458

Structure parameters

• Formula: C23 H29 N O2
• Calculated formula: C23 H29 N O2
• SMILES: O1[C@@H]2CCCC[C@H]2CN2C(=O)[C@H]3[C@H]4CC[C@@H]([C@H]3[C@]12c1ccc(cc1)C)C4.O1[C@H]2CCCC[C@@H]2CN2C(=O)[C@@H]3[C@@H]4CC[C@H]([C@@H]3[C@@]12c1ccc(cc1)C)C4
• Title of publication: X-Ray Structure of a Saturated Methylene-bridged Isoindolo[1,2-b][1,3]benzoxazine
• Authors of publication: Argay, Gyula; Sillanpaa, Reijo; Stajer, Geza; Bernath, Gabor
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 530 - 532
• a: 17.229 ± 0.002 Å
• b: 6.41 ± 0.002 Å
• c: 17.161 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.2 ± 0.8 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No