Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548997 | CIF | C25 H22 F3 N O3 S | P b c a | 16.8152; 15.0512; 17.5637 90; 90; 90 | 4445.18 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548998 | CIF | C25 H22 F3 N O4 S | P 1 21/c 1 | 16.8716; 7.8975; 16.7075 90; 90.3044; 90 | 2226.13 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548999 | CIF | C23 H20 F3 N O4 S | P 1 21/n 1 | 14.6966; 9.1174; 17.3812 90; 116.062; 90 | 2092.17 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1549003 | CIF | C28 H44 Li2 N6 | P 1 21/n 1 | 9.746; 25.413; 11.319 90; 105.55; 90 | 2700.8 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549004 | CIF | C20 H36 Li2 N6 | P 1 21/c 1 | 12.7937; 9.7101; 18.6728 90; 94.3121; 90 | 2313.12 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549005 | CIF | C40 H68 Li2 N6 | P 1 21/c 1 | 13.864; 30.46; 9.851 90; 105.18; 90 | 4014.9 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549011 | CIF | C27 H29 Cl F6 N2 P Rh | P 1 21/n 1 | 15.9555; 11.5878; 17.1391 90; 116.061; 90 | 2846.6 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549012 | CIF | C20 H23 Cl F6 N2 P Rh | P m n 21 | 12.9507; 8.31; 10.5094 90; 90; 90 | 1131.02 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549013 | CIF | C31 H37 Cl F6 N2 O2 P Rh | P -1 | 8.51582; 13.5384; 14.2569 94.5969; 92.9146; 92.6758 | 1634.15 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549014 | CIF | C36 H35 Cl F6 N2 O P Rh | P -1 | 8.7508; 14.4955; 14.5101 84.91; 74.415; 82.382 | 1754.53 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549015 | CIF | C25 H28 F12 N3 O0.5 P2 Rh | P -1 | 9.84864; 10.1712; 16.1627 101.363; 90.9323; 109.801 | 1487.41 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549016 | CIF | C36 H39 Cl F6 N2 O P Rh | P 1 21/n 1 | 8.0233; 28.1842; 16.1096 90; 94.393; 90 | 3632.2 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549017 | CIF | C34 H35 Cl F6 N2 O P Rh | P -1 | 8.40215; 12.9603; 15.392 80; 86.442; 86.175 | 1644.79 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549018 | CIF | C28 H29 Cl F6 N2 O P Rh | P -1 | 8.20707; 10.08952; 17.2032 82.3397; 81.4575; 84.0175 | 1390.95 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549020 | CIF | C27 H20 N2 O3 S | P 1 21/c 1 | 12.6727; 15.398; 11.9061 90; 110.633; 90 | 2174.3 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549021 | CIF | C15 H11 N O3 S | P -1 | 7.089; 7.256; 13.569 85.46; 77.9; 70.37 | 642.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549022 | CIF | C27 H18 N2 O3 S | C 1 2 1 | 25.719; 7.5368; 11.759 90; 116.39; 90 | 2041.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549023 | CIF | C17 H16 N2 O3 S | P 1 21/n 1 | 8.172; 9.666; 20.305 90; 99.512; 90 | 1581.9 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549029 | CIF | C86 H162 Co Cr7 F8 N O33 | I 4 | 19.9066; 19.9066; 16.1991 90; 90; 90 | 6419.3 | Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions. Chemical science, 2018, 9, 3555-3562 |
| 1549035 | CIF | C3 H6 N3 O10 P | P 1 21/c 1 | 12.37; 8.1257; 9.943 90; 97.638; 90 | 990.6 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549036 | CIF | C4 H7 N3 O9 | P -1 | 7.6451; 7.8238; 8.9723 100.557; 96.753; 114.76 | 467.59 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549042 | CIF | C17 H19 B F4 N2 O | P 1 21/c 1 | 19.5805; 9.7595; 8.9644 90; 103.158; 90 | 1668.08 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549043 | CIF | C31 H35 B N2 O | P 21 21 21 | 9.49835; 11.89113; 22.8675 90; 90; 90 | 2582.8 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549044 | CIF | C10 H16 I N O | P 1 21 1 | 5.40542; 6.94898; 16.0701 90; 95.864; 90 | 600.47 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549045 | CIF | C40 H66 Cl2 N10 O16 | I 1 2/a 1 | 15.1489; 13.2904; 24.594 90; 97.293; 90 | 4911.6 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549046 | CIF | C17 H19 Cl N2 O | P 1 21/c 1 | 18.7661; 8.8339; 9.6084 90; 100.318; 90 | 1567.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549047 | CIF | C19 H26 Cl N5 O3 | P 1 21/c 1 | 7.10113; 13.625; 20.6821 90; 91.5054; 90 | 2000.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549048 | CIF | C22 H32 N2 O6 | C 1 2 1 | 13.5545; 5.84781; 14.1657 90; 110.071; 90 | 1054.64 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549049 | CIF | C14 H18 F18 K N3 P2 S | P 1 21/c 1 | 24.3732; 10.4084; 9.9932 90; 93.1701; 90 | 2531.26 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549050 | CIF | C34 H42 N4 O8 S | P 1 21 1 | 8.6454; 9.463; 20.0392 90; 96.753; 90 | 1628.06 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549051 | CIF | C17 H21 N2 O5 P | P 1 21/c 1 | 20.7561; 9.5134; 8.5352 90; 96.5078; 90 | 1674.51 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549052 | CIF | C14 H18 Br F6 N3 S | P 1 21/c 1 | 10.9874; 14.2737; 23.2106 90; 90.2783; 90 | 3640.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549053 | CIF | C38 H48.7 N4 O11.35 | P 1 21 1 | 8.81; 9.7133; 21.7147 90; 100.169; 90 | 1829.03 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549054 | CIF | C18 H19 N3 O S | P 1 21/c 1 | 19.8981; 8.0213; 10.8806 90; 100.435; 90 | 1707.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549055 | CIF | C17 H19 I N2 O | P 1 21/c 1 | 19.6674; 8.1224; 10.8447 90; 105.289; 90 | 1671.09 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549056 | CIF | C10 H16 I N O | P 21 21 21 | 7.32726; 18.9411; 25.6662 90; 90; 90 | 3562.12 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549057 | CIF | C10 H16 Cl N O | P 1 21 1 | 7.2565; 6.1232; 12.557 90; 102.256; 90 | 545.23 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549058 | CIF | C11 H16 N2 O S | P 21 21 21 | 6.09862; 7.52704; 27.3811 90; 90; 90 | 1256.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549059 | CIF | C42 H46 N4 O16 Sb2 | C 1 2 1 | 22.3684; 8.4156; 15.6852 90; 130.585; 90 | 2242.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549060 | CIF | C31 H35 B N2 O | P 1 21/n 1 | 10.1433; 18.6189; 14.0467 90; 99.569; 90 | 2615.91 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549061 | CIF | C10 H16 Br N O | P 1 21 1 | 7.4467; 6.20961; 12.5863 90; 101.176; 90 | 570.97 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549062 | CIF | C36 H38 N4 O8 | P 1 21 1 | 9.0081; 9.3218; 19.4957 90; 95.351; 90 | 1629.95 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549063 | CIF | C19 H23 Cl I N5 O | P 1 21/c 1 | 12.9279; 12.5457; 13.139 90; 109.843; 90 | 2004.48 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549068 | CIF | C140.5 H113.5 Cl5.5 O1.5 | P -1 | 15.3025; 16.0955; 22.2445 94.998; 108.991; 92.221 | 5147.8 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549069 | CIF | C116 H103 F3 O4 S | P -1 | 14.3675; 17.3718; 18.9206 67.525; 86.143; 89.598 | 4352.9 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549080 | CIF | C25 H15 N O2 | P 1 21/n 1 | 15.4892; 7.8471; 15.5804 90; 114.831; 90 | 1718.65 | Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P. Mechano-induced persistent room-temperature phosphorescence from purely organic molecules. Chemical science, 2018, 9, 3782-3787 |
| 1549081 | CIF | C57 H83 B2 Li O4 | P c c n | 21.5605; 26.1802; 19.2608 90; 90; 90 | 10871.9 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549082 | CIF | C56 H85 B2 Li O4 | P 1 21/n 1 | 10.7242; 21.4641; 24.027 90; 97.208; 90 | 5487 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549083 | CIF | C44 H56 B2 | P -1 | 5.974; 14.639; 21.461 82.273; 89.91; 86.79 | 1856.8 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549084 | CIF | C66 H98 B2 Li2 O7 | P 1 21/c 1 | 12.9451; 18.3459; 27.0962 90; 101.393; 90 | 6308.3 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
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