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Information card for entry 20002266
Preview
| Coordinates | 20002266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 Br4 N4 O4 |
|---|---|
| Calculated formula | C32 H28 Br4 N4 O4 |
| Title of publication | Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations |
| Authors of publication | van de Streek, Jacco; Neumann, Marcus A. |
| Journal of publication | Acta Crystallographica Section B Structural Science |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | 544 - 558 |
| a | 4.506963545046475 Å |
| b | 7.642483319115929 Å |
| c | 22.88112035560851 Å |
| α | 90° |
| β | 92.6554° |
| γ | 90° |
| Cell volume | 787.28 Å3 |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1753 (current) | 2017-08-30 | cif/ Adding structures of 20002048, 20002049, 20002050, 20002051, 20002052, 20002053, 20002054, 20002055, 20002056, 20002057, 20002058, 20002059, 20002060, 20002061, 20002062, 20002063, 20002064, 20002065, 20002066, 20002067, 20002068, 20002069, 20002070, 20002071, 20002072, 20002073, 20002074, 20002075, 20002076, 20002077, 20002078, 20002079, 20002080, 20002081, 20002082, 20002083, 20002084, 20002085, 20002086, 20002087, 20002088, 20002089, 20002090, 20002091, 20002092, 20002093, 20002094, 20002095, 20002096, 20002097, 20002098, 20002099, 20002100, 20002101, 20002102, 20002103, 20002104, 20002105, 20002106, 20002107, 20002108, 20002109, 20002110, 20002111, 20002112, 20002113, 20002114, 20002115, 20002116, 20002117, 20002118, 20002119, 20002120, 20002121, 20002122, 20002123, 20002124, 20002125, 20002126, 20002127, 20002128, 20002129, 20002130, 20002131, 20002132, 20002133, 20002134, 20002135, 20002136, 20002137, 20002138, 20002139, 20002140, 20002141, 20002142, 20002143, 20002144, 20002145, 20002146, 20002147, 20002148, 20002149, 20002150, 20002151, 20002152, 20002153, 20002154, 20002155, 20002156, 20002157, 20002158, 20002159, 20002160, 20002161, 20002162, 20002163, 20002164, 20002165, 20002166, 20002167, 20002168, 20002169, 20002170, 20002171, 20002172, 20002173, 20002174, 20002175, 20002176, 20002177, 20002178, 20002179, 20002180, 20002181, 20002182, 20002183, 20002184, 20002185, 20002186, 20002187, 20002188, 20002189, 20002190, 20002191, 20002192, 20002193, 20002194, 20002195, 20002196, 20002197, 20002198, 20002199, 20002200, 20002201, 20002202, 20002203, 20002204, 20002205, 20002206, 20002207, 20002208, 20002209, 20002210, 20002211, 20002212, 20002213, 20002214, 20002215, 20002216, 20002217, 20002218, 20002219, 20002220, 20002221, 20002222, 20002223, 20002224, 20002225, 20002226, 20002227, 20002228, 20002229, 20002230, 20002231, 20002232, 20002233, 20002234, 20002235, 20002236, 20002237, 20002238, 20002239, 20002240, 20002241, 20002242, 20002243, 20002244, 20002245, 20002246, 20002247, 20002248, 20002249, 20002250, 20002251, 20002252, 20002253, 20002254, 20002255, 20002256, 20002257, 20002258, 20002259, 20002260, 20002261, 20002262, 20002263, 20002264, 20002265, 20002266, 20002267, 20002268, 20002269, 20002270, 20002271, 20002272, 20002273, 20002274 via cif-deposit CGI script. |
20002266.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.