Information card for entry 4022327

Structure parameters

• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• SMILES: O1[C@]2(c3ccccc3)[C@H]3[C@]1(C(=O)N(c1c4c(ccc1)CCCC4)C2=O)CCCC3.O1[C@@]2(c3ccccc3)[C@@H]3[C@@]1(C(=O)N(c1c4c(ccc1)CCCC4)C2=O)CCCC3
• Title of publication: Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality
• Authors of publication: Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 942 - 946
• a: 20.336 ± 0.004 Å
• b: 11.966 ± 0.002 Å
• c: 8.443 ± 0.002 Å
• α: 90°
• β: 98.32 ± 0.02°
• γ: 90°
• Cell volume: 2032.7 ± 0.7 ų
• Cell temperature: 298 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: 0.105
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections: 2.792
• Goodness-of-fit parameter for significantly intense reflections: 2.607
• Goodness-of-fit parameter for all reflections included in the refinement: 2.607
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No