Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503875
Preview
Coordinates | 1503875.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O3 |
---|---|
Calculated formula | C23 H22 N2 O3 |
SMILES | c12ccccc1[C@]13CC(=O)N([C@H]1CC=C([C@@H]3N2)C(=O)OC)Cc1ccccc1.c12ccccc1[C@@]13CC(=O)N([C@@H]1CC=C([C@H]3N2)C(=O)OC)Cc1ccccc1 |
Title of publication | Sequential one-pot cyclizations: concise access to the ABCE tetracyclic framework of strychnos alkaloids. |
Authors of publication | Sirasani, Gopal; Andrade, Rodrigo B. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 2085 - 2088 |
a | 8.0163 ± 0.0007 Å |
b | 9.4598 ± 0.0008 Å |
c | 25.816 ± 0.002 Å |
α | 90° |
β | 93.688 ± 0.002° |
γ | 90° |
Cell volume | 1953.6 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
1503875.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503875.cif |
39163 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503875 via cif-deposit CGI script. |
1503875.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.