Crystallography Open Database
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Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1556796 | CIF | C24 H18 Br2 N2 O4 | P 1 21/c 1 | 11.0467; 28.9658; 10.7956 90; 110.603; 90 | 3233.4 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556797 | CIF | C26 H14 Br2 F8 N4 O2 | P -1 | 5.837; 12.8464; 18.1146 103.537; 96.861; 93.06 | 1306.46 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556798 | CIF | C22 H10 Br2 F8 N2 O2 | P 1 21/c 1 | 13.6342; 5.8333; 13.3118 90; 90.944; 90 | 1058.58 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556799 | CIF | C24 H14 Br2 F8 N2 O2 | C 1 2/c 1 | 25.9125; 4.6925; 20.0909 90; 103.464; 90 | 2375.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556800 | CIF | C10 H5 F4 I N2 O2 | P 1 21/n 1 | 11.701; 4.6121; 21.594 90; 103.591; 90 | 1132.7 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556801 | CIF | C12 H5 F4 I N2 O | P 1 21/n 1 | 12.7258; 4.9322; 20.729 90; 106.074; 90 | 1250.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556802 | CIF | C11 H5 F4 I N2 O3 | P -1 | 4.2485; 11.6204; 13.8288 110.206; 95.97; 98.531 | 624.68 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556803 | CIF | C13 H5 F4 I N2 O2 | P 1 21/c 1 | 7.4234; 35.8851; 10.0949 90; 101.028; 90 | 2639.5 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556804 | CIF | C13 H9 Br N2 O2 | P -1 | 7.363; 7.48; 12.446 80.617; 84.893; 62.018 | 597.17 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556805 | CIF | C12 H5 Br F4 N2 O | P 1 21/n 1 | 12.2763; 5.0037; 20.666 90; 106.425; 90 | 1217.6 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556806 | CIF | C42 H28 | C m c e | 26.7965; 7.1599; 14.1519 90; 90; 90 | 2715.19 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556807 | CIF | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556808 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556809 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556810 | CIF | C6 H7 Cl N | P -1 | 6.5742; 7.6702; 12.636 85.26; 76.735; 73.823 | 595.5 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556811 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556812 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556813 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556814 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556815 | CIF | C22 H16 Cl2 | P 1 21 1 | 13.589; 8.0415; 14.943 90; 93.998; 90 | 1628.9 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556816 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556817 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556818 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556819 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556820 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556821 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556822 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556823 | CIF | C20 H30 Fe | C m c e | 15.119; 11.492; 9.967 90; 90; 90 | 1731.7 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556824 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556825 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556826 | CIF | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556827 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556828 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556829 | CIF | C30 H29 Cl2 Cu2 I2 N O2 S2 | P -1 | 11.7925; 11.9665; 13.4375 93.29; 95.681; 118.683 | 1643.38 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556830 | CIF | C29 H27 Cd2 I4 N O2 S2 | C 1 2/c 1 | 23.3017; 13.4569; 26.9935 90; 102.963; 90 | 8248.6 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556831 | CIF | C58 H54 Cd4 I8 N2 O4 S4 | P -1 | 11.66; 12.147; 12.585 75.142; 87.056; 86.996 | 1719.2 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556832 | CIF | C116 H106 Cd8 I16 N4 O8 S8 | P -1 | 11.3166; 13.4404; 24.586 86.655; 89.396; 78.371 | 3656.5 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556833 | CIF | C29 H27 Cd Cu I3 N O2 S2 | P -1 | 8.9645; 14.4098; 14.8826 65.853; 73.386; 81.546 | 1680.04 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556834 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.442; 19.442; 19.442 90; 90; 90 | 7348.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556835 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4214; 19.4214; 19.4214 90; 90; 90 | 7325.6 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556836 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7844; 13.732; 23.784 90; 109.47; 90 | 7324 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556837 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4199; 19.4199; 19.4199 90; 90; 90 | 7323.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556838 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556839 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556840 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556841 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556842 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7054; 13.6861; 23.7051 90; 109.47; 90 | 7251 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556843 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556888 | CIF | C18 H14 F4 N2 O4 S | P 1 21/c 1 | 14.8945; 12.1188; 10.2846 90; 105.825; 90 | 1786.05 | Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket IUCrJ, 2020, 7, 71-82 |
| 1556889 | CIF | C54 H42 Cu2 N2 O8 | C 1 2/c 1 | 24.633; 12.093; 15.509 90; 108.48; 90 | 4382 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
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