Information card for entry 1506314

Structure parameters

• Formula: C30 H34 Cl N3 O6
• Calculated formula: C30 H34 Cl N3 O6
• SMILES: Clc1c(N)cc(OC)c(c1)C(=O)N[C@@H]1C[C@H]([NH+](C1)CC)CO.O=C([O-])c1cc2cc3ccccc3cc2cc1.O
• Title of publication: Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.
• Authors of publication: Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 6051 - 6054
• a: 29.6799 ± 0.0003 Å
• b: 6.1328 Å
• c: 16.0196 ± 0.0003 Å
• α: 90°
• β: 96.368 ± 0.002°
• γ: 90°
• Cell volume: 2897.91 ± 0.06 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No