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Information card for entry 8107694
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Coordinates | 8107694.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H52 N4 O12 |
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Calculated formula | C44 H52 N4 O12 |
Title of publication | Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3 |
Authors of publication | Tong, Hongjuan; Xu, Xiaona; Zhu, Zhoujing; Liu, Bin |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2023 |
Journal volume | 238 |
Journal issue | 6 |
Pages of publication | 1175 - 1176 |
a | 8.0478 ± 0.0003 Å |
b | 9.8093 ± 0.0004 Å |
c | 13.1602 ± 0.0005 Å |
α | 90° |
β | 104.712 ± 0.002° |
γ | 90° |
Cell volume | 1004.85 ± 0.07 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 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 | 0.0545 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
287832 (current) | 2023-11-28 | cif/ Adding structures of 8107694 via cif-deposit CGI script. |
8107694.cif |
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Users of the data should acknowledge the original authors of the
structural data.