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Information card for entry 4514035
Preview
Coordinates | 4514035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H26 N6 O4 |
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Calculated formula | C15 H26 N6 O4 |
SMILES | O(C)C(=O)Cn1nnnc1C1(NNC(=O)OC(C)(C)C)CCCCC1 |
Title of publication | Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations. |
Authors of publication | Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander |
Journal of publication | ACS combinatorial science |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 3 |
Pages of publication | 193 - 198 |
a | 15.8975 ± 0.0006 Å |
b | 12.9679 ± 0.0003 Å |
c | 19.3594 ± 0.0009 Å |
α | 90° |
β | 115.611 ± 0.005° |
γ | 90° |
Cell volume | 3599 ± 0.3 Å3 |
Cell temperature | 134 ± 5 K |
Ambient diffraction temperature | 134 ± 5 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
204145 (current) | 2017-12-11 | cif/4/ Updating space group information in entries 4345965, 4345966, 4345967, 4345968, 4345969, 4345970, 4345971, 4345972, 4345973, 4512502, 4512503, 4514034, 4514035. |
4514035.cif |
194775 | 2017-04-04 | cif/ Updating files of 4514032, 4514033, 4514034, 4514035, 4514036 Original log message: Adding full bibliography for 4514032--4514036.cif. |
4514035.cif |
192242 | 2017-02-18 | cif/ Adding structures of 4514035 via cif-deposit CGI script. |
4514035.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.