Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518416
Preview
Coordinates | 1518416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H35 N O14 |
---|---|
Calculated formula | C34 H35 N O14 |
SMILES | O=C(C)Cc1cc2CCc3c(O)c4Oc5ccc(OC)c(O)c5C(=O)c4c(O)c3c2c(O)c1C(=O)N[C@@](C)(CO)C(=O)O.O=C(OCC)C |
Title of publication | Pentacyclic antibiotics from a tidal mud flat-derived actinomycete. |
Authors of publication | Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 3 |
Pages of publication | 524 - 529 |
a | 7.4957 ± 0.0003 Å |
b | 12.0298 ± 0.0004 Å |
c | 17.8347 ± 0.0007 Å |
α | 87.387 ± 0.0012° |
β | 87.555 ± 0.0011° |
γ | 74.708 ± 0.001° |
Cell volume | 1548.85 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0882 |
Weighted residual factors for all reflections included in the refinement | 0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518416.cif |
134819 | 2015-04-04 | cif/ Updating files of 1518416 Original log message: Adding full bibliography for 1518416.cif. |
1518416.cif |
128653 | 2014-12-13 | cif/ Adding structures of 1518416 via cif-deposit CGI script. |
1518416.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.