Crystallography Open Database

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1548997 CIFC25 H22 F3 N O3 SP b c a16.8152; 15.0512; 17.5637
90; 90; 90
4445.18Das, 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 CIFC25 H22 F3 N O4 SP 1 21/c 116.8716; 7.8975; 16.7075
90; 90.3044; 90
2226.13Das, 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 CIFC23 H20 F3 N O4 SP 1 21/n 114.6966; 9.1174; 17.3812
90; 116.062; 90
2092.17Das, 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 CIFC28 H44 Li2 N6P 1 21/n 19.746; 25.413; 11.319
90; 105.55; 90
2700.8Engelhardt, 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 CIFC20 H36 Li2 N6P 1 21/c 112.7937; 9.7101; 18.6728
90; 94.3121; 90
2313.12Engelhardt, 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 CIFC40 H68 Li2 N6P 1 21/c 113.864; 30.46; 9.851
90; 105.18; 90
4014.9Engelhardt, 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 CIFC27 H29 Cl F6 N2 P RhP 1 21/n 115.9555; 11.5878; 17.1391
90; 116.061; 90
2846.6Banerjee, 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 CIFC20 H23 Cl F6 N2 P RhP m n 2112.9507; 8.31; 10.5094
90; 90; 90
1131.02Banerjee, 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 CIFC31 H37 Cl F6 N2 O2 P RhP -18.51582; 13.5384; 14.2569
94.5969; 92.9146; 92.6758
1634.15Banerjee, 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 CIFC36 H35 Cl F6 N2 O P RhP -18.7508; 14.4955; 14.5101
84.91; 74.415; 82.382
1754.53Banerjee, 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 CIFC25 H28 F12 N3 O0.5 P2 RhP -19.84864; 10.1712; 16.1627
101.363; 90.9323; 109.801
1487.41Banerjee, 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 CIFC36 H39 Cl F6 N2 O P RhP 1 21/n 18.0233; 28.1842; 16.1096
90; 94.393; 90
3632.2Banerjee, 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 CIFC34 H35 Cl F6 N2 O P RhP -18.40215; 12.9603; 15.392
80; 86.442; 86.175
1644.79Banerjee, 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 CIFC28 H29 Cl F6 N2 O P RhP -18.20707; 10.08952; 17.2032
82.3397; 81.4575; 84.0175
1390.95Banerjee, 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 CIFC27 H20 N2 O3 SP 1 21/c 112.6727; 15.398; 11.9061
90; 110.633; 90
2174.3Roy, 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 CIFC15 H11 N O3 SP -17.089; 7.256; 13.569
85.46; 77.9; 70.37
642.8Roy, 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 CIFC27 H18 N2 O3 SC 1 2 125.719; 7.5368; 11.759
90; 116.39; 90
2041.8Roy, 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 CIFC17 H16 N2 O3 SP 1 21/n 18.172; 9.666; 20.305
90; 99.512; 90
1581.9Roy, 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 CIFC86 H162 Co Cr7 F8 N O33I 419.9066; 19.9066; 16.1991
90; 90; 90
6419.3Garlatti, 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 CIFC3 H6 N3 O10 PP 1 21/c 112.37; 8.1257; 9.943
90; 97.638; 90
990.6Manner, 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 CIFC4 H7 N3 O9P -17.6451; 7.8238; 8.9723
100.557; 96.753; 114.76
467.59Manner, 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 CIFC17 H19 B F4 N2 OP 1 21/c 119.5805; 9.7595; 8.9644
90; 103.158; 90
1668.08Nievergelt, 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 CIFC31 H35 B N2 OP 21 21 219.49835; 11.89113; 22.8675
90; 90; 90
2582.8Nievergelt, 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 CIFC10 H16 I N OP 1 21 15.40542; 6.94898; 16.0701
90; 95.864; 90
600.47Nievergelt, 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 CIFC40 H66 Cl2 N10 O16I 1 2/a 115.1489; 13.2904; 24.594
90; 97.293; 90
4911.6Nievergelt, 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 CIFC17 H19 Cl N2 OP 1 21/c 118.7661; 8.8339; 9.6084
90; 100.318; 90
1567.1Nievergelt, 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 CIFC19 H26 Cl N5 O3P 1 21/c 17.10113; 13.625; 20.6821
90; 91.5054; 90
2000.36Nievergelt, 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 CIFC22 H32 N2 O6C 1 2 113.5545; 5.84781; 14.1657
90; 110.071; 90
1054.64Nievergelt, 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 CIFC14 H18 F18 K N3 P2 SP 1 21/c 124.3732; 10.4084; 9.9932
90; 93.1701; 90
2531.26Nievergelt, 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 CIFC34 H42 N4 O8 SP 1 21 18.6454; 9.463; 20.0392
90; 96.753; 90
1628.06Nievergelt, 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 CIFC17 H21 N2 O5 PP 1 21/c 120.7561; 9.5134; 8.5352
90; 96.5078; 90
1674.51Nievergelt, 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 CIFC14 H18 Br F6 N3 SP 1 21/c 110.9874; 14.2737; 23.2106
90; 90.2783; 90
3640.1Nievergelt, 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 CIFC38 H48.7 N4 O11.35P 1 21 18.81; 9.7133; 21.7147
90; 100.169; 90
1829.03Nievergelt, 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 CIFC18 H19 N3 O SP 1 21/c 119.8981; 8.0213; 10.8806
90; 100.435; 90
1707.92Nievergelt, 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 CIFC17 H19 I N2 OP 1 21/c 119.6674; 8.1224; 10.8447
90; 105.289; 90
1671.09Nievergelt, 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 CIFC10 H16 I N OP 21 21 217.32726; 18.9411; 25.6662
90; 90; 90
3562.12Nievergelt, 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 CIFC10 H16 Cl N OP 1 21 17.2565; 6.1232; 12.557
90; 102.256; 90
545.23Nievergelt, 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 CIFC11 H16 N2 O SP 21 21 216.09862; 7.52704; 27.3811
90; 90; 90
1256.92Nievergelt, 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 CIFC42 H46 N4 O16 Sb2C 1 2 122.3684; 8.4156; 15.6852
90; 130.585; 90
2242.36Nievergelt, 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 CIFC31 H35 B N2 OP 1 21/n 110.1433; 18.6189; 14.0467
90; 99.569; 90
2615.91Nievergelt, 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 CIFC10 H16 Br N OP 1 21 17.4467; 6.20961; 12.5863
90; 101.176; 90
570.97Nievergelt, 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 CIFC36 H38 N4 O8P 1 21 19.0081; 9.3218; 19.4957
90; 95.351; 90
1629.95Nievergelt, 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 CIFC19 H23 Cl I N5 OP 1 21/c 112.9279; 12.5457; 13.139
90; 109.843; 90
2004.48Nievergelt, 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 CIFC140.5 H113.5 Cl5.5 O1.5P -115.3025; 16.0955; 22.2445
94.998; 108.991; 92.221
5147.8Cruz, 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 CIFC116 H103 F3 O4 SP -114.3675; 17.3718; 18.9206
67.525; 86.143; 89.598
4352.9Cruz, 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 CIFC25 H15 N O2P 1 21/n 115.4892; 7.8471; 15.5804
90; 114.831; 90
1718.65Mu, 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 CIFC57 H83 B2 Li O4P c c n21.5605; 26.1802; 19.2608
90; 90; 90
10871.9Kaese, 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 CIFC56 H85 B2 Li O4P 1 21/n 110.7242; 21.4641; 24.027
90; 97.208; 90
5487Kaese, 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 CIFC44 H56 B2P -15.974; 14.639; 21.461
82.273; 89.91; 86.79
1856.8Kaese, 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 CIFC66 H98 B2 Li2 O7P 1 21/c 112.9451; 18.3459; 27.0962
90; 101.393; 90
6308.3Kaese, 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
1549085 CIFC53 H75 B2 Li O3P 1 21 114.775; 19.9973; 17.9098
90; 109.105; 90
5000.2Kaese, 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
1549086 CIFC61 H90 B2 Cl Li O8F d d 212.2698; 43.946; 21.961
90; 90; 90
11841.6Kaese, 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
1549087 CIFC63 H87 B2 Li O4P 1 21/c 119.497; 24.7864; 23.972
90; 92.463; 90
11574Kaese, 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
1549088 CIFC43 H54 B2P c a 2141.344; 14.272; 6.1349
90; 90; 90
3620Kaese, 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
1549089 CIFC70 H84 B2 OP -110.4041; 11.5484; 25.736
79.323; 85.313; 81.22
2998.51Kaese, 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
1549094 CIFC26 H32 O2 S2I 1 2/a 17.7604; 5.9132; 49.45
90; 95.879; 90
2257.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549095 CIFC26 H32 O2 S2I 1 2/a 17.856; 5.8413; 49.561
90; 95.46; 90
2264van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549096 CIFC26 H32 O2 S2I 1 2/a 18.0891; 5.7282; 49.849
90; 94.255; 90
2303.4van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549097 CIFC26 H32 O2 S2I 1 2/a 17.9306; 5.8288; 49.645
90; 95.171; 90
2285.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549098 CIFC26 H32 O2 S2I 1 2/a 17.9631; 5.8073; 49.723
90; 94.85; 90
2291.2van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549099 CIFC26 H32 O2 S2I 1 2/a 18.3546; 5.6236; 50.168
90; 93.146; 90
2353.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549100 CIFC26 H32 O2 S2I 1 2/a 18.0248; 5.7688; 49.827
90; 94.591; 90
2299.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549101 CIFC26 H32 O2 S2I 1 2/a 18.446; 5.58942; 50.2534
90; 92.829; 90
2369.48van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549102 CIFC26 H32 O2 S2I 1 2/a 17.8186; 5.8811; 49.458
90; 95.762; 90
2262.7van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549103 CIFC26 H32 O2 S2I 1 2/a 18.1615; 5.6918; 49.87
90; 93.819; 90
2311.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549104 CIFC26 H32 O2 S2I 1 2/a 18.2606; 5.6541; 49.944
90; 93.621; 90
2328van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549107 CIFC30 H60 Br2 F4 Ni2 P4P -111.059; 12.1681; 15.1847
75.96; 89.526; 89.997
1982.25Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549108 CIFC18 H30 F5 I Ni P2I 1 2 18.0074; 11.3665; 12.9665
90; 94.616; 90
1176.33Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549109 CIFC18 H30 F5 I Ni P2I 1 2 17.8675; 11.3291; 12.9347
90; 94.392; 90
1149.51Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549110 CIFC18 H30 F4 Ni P2P 43 21 28.13398; 8.13398; 31.6136
90; 90; 90
2091.61Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549111 CIFC18 H30 F4 I2 Ni P2C m c 2112.6196; 14.8011; 13.2994
90; 90; 90
2484.11Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549112 CIFC18 H30 F4 I2 Ni P2P b c a14.0519; 14.4485; 24.3473
90; 90; 90
4943.2Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549113 CIFC18 H30 F4 I2 Ni P2P 1 21/c 19.9032; 16.1922; 15.2884
90; 93.913; 90
2445.85Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549114 CIFC18 H30 F5 I Ni P2P 1 21 19.4116; 12.701; 9.727
90; 95.377; 90
1157.62Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549115 CIFC18 H30 F5 I Ni P2I 1 2 17.892; 11.3325; 12.9439
90; 94.434; 90
1154.19Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549116 CIFC18 H30 Cl F4 I Ni P2P 1 21/c 19.95341; 16.0611; 15.04577
90; 97.0034; 90
2387.31Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549117 CIFC18 H30 Br F4 I Ni P2P 1 21/c 19.95422; 16.0712; 15.0877
90; 95.7803; 90
2401.4Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549118 CIFC18 H30 F5 I Ni P2C 1 c 117.1652; 8.5185; 16.935
90; 96.803; 90
2458.8Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549119 CIFC18 H30 Cl F4 I Ni P2P 1 21 19.2736; 13.2118; 9.817
90; 95.22; 90
1197.8Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549120 CIFC26 H30 F4 I2 Ni P2P -17.8141; 12.9211; 14.7784
76.749; 79.7; 76.748
1401.12Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549121 CIFC18 H30 F4 I2 Ni P2P 1 21/c 112.19004; 28.0191; 14.2344
90; 91.6129; 90
4859.89Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549122 CIFC69 H54 Fe N6 O4 P2P 1 21/c 117.9956; 14.2843; 23.6299
90; 111.37; 90
5656.57Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen
C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.
Chemical science, 2018, 9, 3992-4002
1549123 CIFC62 H34 F12 Fe N6 P2F d d 227.5449; 55.4159; 10.2412
90; 90; 90
15632Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1549124 CIFC66 H44 F12 N6 O P2 RuP -4 21 c16.392; 16.392; 21.9038
90; 90; 90
5885.5Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1549133 CIFC23 H23 Au F6 N O SbP 21 21 216.6287; 16.4246; 21.5858
90; 90; 90
2350.1Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier
Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.
Chemical science, 2018, 9, 3932-3940
1549134 CIFC24 H22 Au Cl4 NP -17.4651; 9.8244; 16.963
98.935; 91.454; 106.868
1172.83Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier
Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.
Chemical science, 2018, 9, 3932-3940
1549135 CIFC55 H62 N2 P2P 1 21/n 110.9502; 20.9614; 20.7528
90; 97.766; 90
4719.7Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549136 CIFC48 H52 P2P 1 21/c 18.3846; 21.347; 11.6195
90; 111.081; 90
1940.5Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549137 CIFC31 H37 N2 PP 1 21/c 18.304; 23.286; 13.9
90; 90.34; 90
2687.8Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549138 CIFC48 H52 O P2P b c a16.9466; 20.6986; 23.0289
90; 90; 90
8077.9Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549139 CIFC55 H64 N2 O P2P 1 21/n 116.228; 16.3739; 17.6769
90; 93.71; 90
4687.2Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549140 CIFC65 H42 F6 N4 O11P -110.6269; 14.921; 17.4851
108.065; 102.085; 91.766
2563.72Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.
Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.
Chemical science, 2018, 9, 4052-4061
1549141 CIFC34 H37 B N2P 1 21/c 122.653; 8.3251; 15.2916
90; 107.682; 90
2747.6Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549142 CIFC32 H36 B N SP 1 21/c 17.925; 21.8524; 16.0075
90; 98.766; 90
2739.8Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549143 CIFC34 H39 B N2P -110.294; 11.896; 13.128
66.239; 88.621; 75.243
1417.2Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549144 CIFC34 H39 B N2P 1 21/n 18.41; 34.22; 10.14
90; 97.87; 90
2891Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549145 CIFC32 H36 B N SP 1 21/c 17.9779; 21.8456; 15.7662
90; 98.411; 90
2718.2Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549146 CIFC35 H40 B N OP 1 21/c 17.2959; 22.3592; 17.984
90; 92.626; 90
2930.7Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549147 CIFC39 H43 B N2P -18.1029; 11.3778; 18.5298
87.821; 85.222; 71.032
1609.84Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549148 CIFC32 H34 B N SP n a 2132.54; 9.129; 9.286
90; 90; 90
2758Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855

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