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Information card for entry 20002503
Preview
| Coordinates | 20002503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 D40 O4 |
|---|---|
| Calculated formula | C24 D40 O4 |
| Title of publication | Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D) |
| Authors of publication | van de Streek, Jacco; Neumann, Marcus A. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 1020 - 1032 |
| a | 11.738083587015508 Å |
| b | 7.185202378912832 Å |
| c | 6.875123930638438 Å |
| α | 90° |
| β | 95.5922° |
| γ | 90° |
| Cell volume | 577.09 Å3 |
| Number of distinct elements | 3 |
| 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 |
|---|---|---|---|
| 1758 (current) | 2017-08-31 | cif/ Adding structures of 20002275, 20002276, 20002277, 20002278, 20002279, 20002280, 20002281, 20002282, 20002283, 20002284, 20002285, 20002286, 20002287, 20002288, 20002289, 20002290, 20002291, 20002292, 20002293, 20002294, 20002295, 20002296, 20002297, 20002298, 20002299, 20002300, 20002301, 20002302, 20002303, 20002304, 20002305, 20002306, 20002307, 20002308, 20002309, 20002310, 20002311, 20002312, 20002313, 20002314, 20002315, 20002316, 20002317, 20002318, 20002319, 20002320, 20002321, 20002322, 20002323, 20002324, 20002325, 20002326, 20002327, 20002328, 20002329, 20002330, 20002331, 20002332, 20002333, 20002334, 20002335, 20002336, 20002337, 20002338, 20002339, 20002340, 20002341, 20002342, 20002343, 20002344, 20002345, 20002346, 20002347, 20002348, 20002349, 20002350, 20002351, 20002352, 20002353, 20002354, 20002355, 20002356, 20002357, 20002358, 20002359, 20002360, 20002361, 20002362, 20002363, 20002364, 20002365, 20002366, 20002367, 20002368, 20002369, 20002370, 20002371, 20002372, 20002373, 20002374, 20002375, 20002376, 20002377, 20002378, 20002379, 20002380, 20002381, 20002382, 20002383, 20002384, 20002385, 20002386, 20002387, 20002388, 20002389, 20002390, 20002391, 20002392, 20002393, 20002394, 20002395, 20002396, 20002397, 20002398, 20002399, 20002400, 20002401, 20002402, 20002403, 20002404, 20002405, 20002406, 20002407, 20002408, 20002409, 20002410, 20002411, 20002412, 20002413, 20002414, 20002415, 20002416, 20002417, 20002418, 20002419, 20002420, 20002421, 20002422, 20002423, 20002424, 20002425, 20002426, 20002427, 20002428, 20002429, 20002430, 20002431, 20002432, 20002433, 20002434, 20002435, 20002436, 20002437, 20002438, 20002439, 20002440, 20002441, 20002442, 20002443, 20002444, 20002445, 20002446, 20002447, 20002448, 20002449, 20002450, 20002451, 20002452, 20002453, 20002454, 20002455, 20002456, 20002457, 20002458, 20002459, 20002460, 20002461, 20002462, 20002463, 20002464, 20002465, 20002466, 20002467, 20002468, 20002469, 20002470, 20002471, 20002472, 20002473, 20002474, 20002475, 20002476, 20002477, 20002478, 20002479, 20002480, 20002481, 20002482, 20002483, 20002484, 20002485, 20002486, 20002487, 20002488, 20002489, 20002490, 20002491, 20002492, 20002493, 20002494, 20002495, 20002496, 20002497, 20002498, 20002499, 20002500, 20002501, 20002502, 20002503, 20002504 via cif-deposit CGI script. |
20002503.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.