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Information card for entry 20002048
Preview
| Coordinates | 20002048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H56 Cl4 F4 N8 O4 |
|---|---|
| Calculated formula | C68 H56 Cl4 F4 N8 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 | 14.062725347177535 Å |
| b | 11.78536419909403 Å |
| c | 9.537045969418667 Å |
| α | 90° |
| β | 107.788° |
| γ | 90° |
| Cell volume | 1505.05 Å3 |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| 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. |
20002048.cif |
All data in the COD and the database itself are dedicated to the
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License
.
Users of the data should acknowledge the original authors of the
structural data.