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Information card for entry 2228577
Preview
Coordinates | 2228577.cif |
---|---|
Structure factors | 2228577.hkl |
Original IUCr paper | HTML |
Chemical name | 3',7',7'-Trimethyl-1'-phenyl-5',6',7',8'-tetrahydrospiro[indoline- 3,4'-(1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>b</i>]chromene)]-2,5'-dione |
---|---|
Formula | C26 H23 N3 O3 |
Calculated formula | C26 H23 N3 O3 |
SMILES | c1(c2c(n(c3ccccc3)n1)OC1=C(C32C(=O)Nc2c3cccc2)C(=O)CC(C1)(C)C)C |
Title of publication | 3',7',7'-Trimethyl-1'-phenyl-5',6',7',8'-tetrahydrospiro[indoline-3,4'-(1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>b</i>]chromene)]-2,5'-dione |
Authors of publication | Zhao, Li-Qin; Li, Bin; Li, Yi-Qun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3115 |
a | 11.8778 ± 0.0019 Å |
b | 12.891 ± 0.002 Å |
c | 14.039 ± 0.002 Å |
α | 90° |
β | 100.28 ± 0.003° |
γ | 90° |
Cell volume | 2115.1 ± 0.6 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181206 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228577.cif 2228577.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228577.cif 2228577.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228577.cif 2228577.hkl |
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. | 2228577.cif 2228577.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228577.cif 2228577.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228577.cif 2228577.hkl |
5801 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228572, 2228573, 2228574, 2228575, 2228576, 2228577, 2228578, 2228579, 2228580, 2228581 via cif-deposit CGI script. |
2228577.cif |
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Users of the data should acknowledge the original authors of the
structural data.