Information card for entry 2006474

Structure parameters

• Formula: C23 H24 N2 O2
• Calculated formula: C23 H24 N2 O2
• SMILES: O=C(NC)[C@@]12[C@@H]3c4ccccc4[C@]2([C@H]1c1ccccc31)C(=O)N(CC)CC.O=C(NC)[C@]12[C@H]3c4ccccc4[C@@]2([C@@H]1c1ccccc31)C(=O)N(CC)CC
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide
• Authors of publication: Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1263 - 1265
• a: 8.766 ± 0.002 Å
• b: 17.885 ± 0.002 Å
• c: 12.612 ± 0.002 Å
• α: 90°
• β: 103.661 ± 0.011°
• γ: 90°
• Cell volume: 1921.4 ± 0.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No