Information card for entry 7053854

Structure parameters

• Formula: C34 H40 N2 O4
• Calculated formula: C34 H40 N2 O4
• SMILES: O=C(OC)[C@]1(CCC[C@]2([C@@H]3C[C@H]4[C@H]5[C@H](C(=O)N(c6cccc7cccnc67)C5=O)[C@@]3(C=C4C(C)C)CC[C@H]12)C)C
• Title of publication: Protonation-controlled axial chirality in maleopimaric imides
• Authors of publication: Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 693
• a: 8.54394 ± 0.00018 Å
• b: 14.0556 ± 0.0004 Å
• c: 24.3015 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2918.37 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No