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Information card for entry 7060800
Preview
Coordinates | 7060800.cif |
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Original paper (by DOI) | HTML |
Common name | 5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine |
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Chemical name | 5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine |
Formula | C40 H35 N3 O2 |
Calculated formula | C40 H35 N3 O2 |
Title of publication | Photo-controlled bipolar absorption switches based on 5-dimethylamino substituted indoline spiropyrans with semipermanent merocyanines |
Authors of publication | Metelitsa, Anatoly V.; Chernyshev, Anatoly V.; Voloshin, Nikolai; Demidov, Oleg P.; Solov'eva, Ekaterina; Rostovtseva, Irina A.; Gaeva, Elena |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
a | 8.5067 ± 0.0003 Å |
b | 13.2176 ± 0.0005 Å |
c | 14.2579 ± 0.0006 Å |
α | 77.789 ± 0.003° |
β | 74.227 ± 0.003° |
γ | 85.006 ± 0.003° |
Cell volume | 1507.12 ± 0.1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0622 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1472 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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