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Information card for entry 7222282
Preview
Coordinates | 7222282.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H19 N O6 |
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Calculated formula | C29 H19 N O6 |
SMILES | O1C2(N(C(=C(C2=O)C(=O)c2c(=O)oc3ccccc3c2)C)Cc2ccccc2)c2c(C1=O)cccc2 |
Title of publication | Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction |
Authors of publication | Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 98 |
Pages of publication | 80518 |
a | 11.2256 ± 0.0002 Å |
b | 12.7218 ± 0.0003 Å |
c | 16.4454 ± 0.0003 Å |
α | 90° |
β | 103.055 ± 0.002° |
γ | 90° |
Cell volume | 2287.86 ± 0.08 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for significantly intense reflections | 1.79 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.74 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7222282.cif |
176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222282.cif |
158251 | 2015-09-23 | cif/ Adding structures of 7222281, 7222282 via cif-deposit CGI script. |
7222282.cif |
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Users of the data should acknowledge the original authors of the
structural data.