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Information card for entry 2241337
Preview
Coordinates | 2241337.cif |
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Structure factors | 2241337.hkl |
Original paper (by DOI) | HTML |
Chemical name | 5-(5,6-Dihydrobenzo[4,5]imidazo[1,2-<i>c</i>]quinazolin-6-yl)-2-methoxyphenol |
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Formula | C21 H17 N3 O2 |
Calculated formula | C21 H17 N3 O2 |
Title of publication | Crystal structure of 5-(5,6-dihydrobenzo[4,5]imidazo[1,2-<i>c</i>]quinazolin-6-yl)-2-methoxyphenol |
Authors of publication | Adam, Farook; Arafath, Md. Azharul; Rosenani, A. Haque; Razali, Mohd. R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 12 |
Pages of publication | o971 - o972 |
a | 9.7359 ± 0.0007 Å |
b | 10.0822 ± 0.0007 Å |
c | 17.4624 ± 0.0013 Å |
α | 90° |
β | 94.2958 ± 0.0015° |
γ | 90° |
Cell volume | 1709.3 ± 0.2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0717 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241337.cif 2241337.hkl |
170455 | 2015-11-22 | cif/ hkl/ Adding structures of 2241337 via cif-deposit CGI script. |
2241337.cif 2241337.hkl |
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Users of the data should acknowledge the original authors of the
structural data.