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Information card for entry 4022327
Preview
Coordinates | 4022327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 N O3 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4022327.html
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