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Information card for entry 1520705
Preview
Coordinates | 1520705.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 N2 O3 |
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Calculated formula | C22 H22 N2 O3 |
Title of publication | γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate. |
Authors of publication | Dörr, Aurélie A; Lubell, William D. |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 14 |
Pages of publication | 3592 - 3595 |
a | 17.651 ± 0.0003 Å |
b | 15.5231 ± 0.0003 Å |
c | 13.7865 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3777.48 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0345 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
154784 (current) | 2015-09-06 | cif/ Updating files of 1520704, 1520705, 1520706 Original log message: Adding full bibliography for 1520704--1520706.cif. |
1520705.cif |
139823 | 2015-07-01 | cif/ Adding structures of 1520705 via cif-deposit CGI script. |
1520705.cif |
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Users of the data should acknowledge the original authors of the
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