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Information card for entry 1550356
Preview
Coordinates | 1550356.cif |
---|---|
Structure factors | 1550356.hkl |
Original IUCr paper | HTML |
Chemical name | Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate |
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Formula | C11 H11 N O2 |
Calculated formula | C11 H11 N O2 |
Title of publication | Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate |
Authors of publication | Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S. |
Journal of publication | IUCrData |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | x181728 |
a | 8.3019 ± 0.0017 Å |
b | 16.628 ± 0.003 Å |
c | 6.7622 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 933.5 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.2054 |
Weighted residual factors for all reflections included in the refinement | 0.2077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
212553 (current) | 2018-12-12 | cif/ hkl/ Adding structures of 1550356 via cif-deposit CGI script. |
1550356.cif 1550356.hkl |
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Users of the data should acknowledge the original authors of the
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