Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506106
Preview
Coordinates | 1506106.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H17 N |
---|---|
Calculated formula | C18 H17 N |
SMILES | c1(ccccc1)[C@H]1C[C@H](c2cc3ccccc3n12)C.c1(ccccc1)[C@@H]1C[C@@H](c2cc3ccccc3n12)C |
Title of publication | Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates |
Authors of publication | Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith |
Journal of publication | Organic Letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 14 |
Pages of publication | 3113 - 3116 |
a | 5.538 ± 0.003 Å |
b | 9.573 ± 0.005 Å |
c | 25.815 ± 0.014 Å |
α | 90° |
β | 87.27 ± 0.012° |
γ | 90° |
Cell volume | 1367 ± 1.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2243 |
Residual factor for significantly intense reflections | 0.0823 |
Weighted residual factors for significantly intense reflections | 0.1743 |
Weighted residual factors for all reflections included in the refinement | 0.2167 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
218620 (current) | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1506105-1506106, 1516754. |
1506106.cif |
176729 | 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. |
1506106.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506106.cif |
86279 | 2013-05-21 | smi/1 Adding SMILES of compounds in non chiral groups removing the chirality marks. |
1506106.cif |
47997 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506106 via cif-deposit CGI script. |
1506106.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.