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Information card for entry 1504452
Preview
| Coordinates | 1504452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C37 H45 N O5 |
|---|---|
| Calculated formula | C37 H45 N O5 |
| SMILES | O1c2cc3c(cc2OC1)c1N([C@@H](c2c(OC)c(OC)ccc2c1cc3)CC1=C[C@@H]2[C@H](CC1)[C@@](OC)(CC[C@H]2C(C)C)C)C |
| Title of publication | Dihydrobenzo[c]phenanthridine alkaloids from stem bark of Zanthoxylum nitidum. |
| Authors of publication | Yang, Cheng-Hui; Cheng, Ming-Jen; Chiang, Michael Y.; Kuo, Yueh-Hsiung; Wang, Chyi-Jia; Chen, Ih-Sheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2008 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 669 - 673 |
| a | 6.415 ± 0.003 Å |
| b | 19.316 ± 0.007 Å |
| c | 26.196 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3246 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504452.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504452.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504452.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504452.cif |
| 42071 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504452 via cif-deposit CGI script. |
1504452.cif |
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Users of the data should acknowledge the original authors of the
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