Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2234428
Preview
Coordinates | 2234428.cif |
---|---|
Structure factors | 2234428.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 5-Methylspiro[indoline-3,7'-[6<i>H</i>,7<i>H</i>,8<i>H</i>]pyrano[3,2- <i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate |
---|---|
Formula | C27.5 H15.5 N O6 cl1.5 |
Calculated formula | C27 H15 N O6 |
SMILES | O1c2c(C3(c4c(=O)oc5c(c14)cccc5)C(=O)Nc1c3cc(cc1)C)c(=O)oc1c2cccc1 |
Title of publication | 5-Methylspiro[indoline-3,7'-[6<i>H</i>,7<i>H</i>,8<i>H</i>]pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate |
Authors of publication | Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | o1194 |
a | 9.9341 ± 0.0002 Å |
b | 19.1498 ± 0.0004 Å |
c | 12.8279 ± 0.0002 Å |
α | 90° |
β | 95.078 ± 0.001° |
γ | 90° |
Cell volume | 2430.75 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1645 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234428.cif 2234428.hkl |
181266 | 2016-04-03 | 2234428.cif 2234428.hkl | |
176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2234428.cif |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234428.cif |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234428.cif |
55705 | 2012-05-05 | cif/ Adding structures of 2234428 via cif-deposit CGI script. |
2234428.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.