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Information card for entry 7221062
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| Coordinates | 7221062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ab/pb/382p |
|---|---|
| Formula | C17 H16 O4 |
| Calculated formula | C17 H16 O4 |
| SMILES | O1Cc2ccc3c(c2C1)c1c(OC3)cc(OC)c(OC)c1 |
| Title of publication | Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions |
| Authors of publication | Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.541 ± 0.004 Å |
| b | 8.769 ± 0.005 Å |
| c | 10.636 ± 0.006 Å |
| α | 98.434 ± 0.018° |
| β | 106.104 ± 0.018° |
| γ | 93.644 ± 0.018° |
| Cell volume | 664.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1152 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.386 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 141020 (current) | 2015-07-08 | cif/ Adding structures of 7221062, 7221063, 7221064 via cif-deposit CGI script. |
7221062.cif |
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Users of the data should acknowledge the original authors of the
structural data.