Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2204593
Preview
Coordinates | 2204593.cif |
---|---|
Structure factors | 2204593.hkl |
Original IUCr paper | HTML |
Chemical name | 1'-Methyl-4'-phenyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indol-2''(3''H)-one |
---|---|
Formula | C30 H24 N2 O |
Calculated formula | C30 H24 N2 O |
SMILES | C12(c3ccccc3c3ccccc13)[C@H](CN([C@]12C(=O)Nc2ccccc12)C)c1ccccc1.C12(c3ccccc3c3ccccc13)[C@@H](CN([C@@]12C(=O)Nc2ccccc12)C)c1ccccc1 |
Title of publication | 1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one |
Authors of publication | P.G.Aravindan; S.Selvanayagam; D.Velmurugan; K.Ravikumar; J. Jayashankaran; R.Raghunathan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | o2152 - o2154 |
a | 18.1752 ± 0.0001 Å |
b | 13.6193 ± 0.0009 Å |
c | 18.487 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4576.2 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1226 |
Residual factor for significantly intense reflections | 0.0805 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204593.html
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.