Information card for entry 2018497

Structure parameters

• Chemical name: (9<i>RS</i>,10<i>RS</i>)-8,9-bis(4-chlorobenzyl)- 10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine
• Formula: C36 H22 Cl2 N2 O4
• Calculated formula: C36 H22 Cl2 N2 O4
• SMILES: c1cccc2[nH]c(=O)c3C=C([C@@H]([C@H](c3c12)c1c(=O)[nH]c2c(c1)cccc2)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1.c1cccc2[nH]c(=O)c3C=C([C@H]([C@@H](c3c12)c1c(=O)[nH]c2c(c1)cccc2)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
• Title of publication: Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings
• Authors of publication: Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o220 - o225
• a: 10.6771 ± 0.0019 Å
• b: 11.5208 ± 0.0015 Å
• c: 15.7275 ± 0.0013 Å
• α: 83.956 ± 0.011°
• β: 72.795 ± 0.013°
• γ: 68.204 ± 0.014°
• Cell volume: 1715.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes