Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7151903
Preview
Coordinates | 7151903.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | Fmoc-Val-CH2OH |
---|---|
Chemical name | Fmoc-Val-CH2OH |
Formula | C20 H23 N O3 |
Calculated formula | C20 H23 N O3 |
SMILES | C1(c2ccccc2c2ccccc12)COC(=O)N[C@@H](C(C)C)CO |
Title of publication | A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols. |
Authors of publication | Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 4182 - 4187 |
a | 4.942 ± 0.004 Å |
b | 11.622 ± 0.011 Å |
c | 15.783 ± 0.014 Å |
α | 90° |
β | 93.573 ± 0.014° |
γ | 90° |
Cell volume | 904.7 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Ambient diffracton pressure | 101.325 kPa |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0758 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0508 |
Weighted residual factors for all reflections included in the refinement | 0.0548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.456 |
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 |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151903.cif |
180305 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/19. |
7151903.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151903.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151903.cif |
23561 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7151903, 7151904, 7151905 via cif-deposit CGI script. |
7151903.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.