Crystallography Open Database

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1571096 CIFC33 H16 N2 O33 Zr6P n m a28.8021; 25.366; 13.6242
90; 90; 90		9953.8Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan
Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.
Chemical science, 2024, 15, 3174-3181
1571097 CIFC33 H15 N2 O33 Zr6P n m a28.5667; 25.4597; 13.5472
90; 90; 90		9852.9Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan
Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.
Chemical science, 2024, 15, 3174-3181
1571098 CIFC5.52 Co0.92 Cu N5.52 Rb0.9C c c m10.7927; 9.9495; 10.0194
90; 90; 90		1075.9Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.
The pressure response of Jahn-Teller-distorted Prussian blue analogues.
Chemical science, 2024, 15, 3155-3164
1571099 CIFC5.7 Co0.95 Cs0.857 Cu N5.7I -4 m 27.1046; 7.1046; 10.8768
90; 90; 90		549.01Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.
The pressure response of Jahn-Teller-distorted Prussian blue analogues.
Chemical science, 2024, 15, 3155-3164
1571100 CIFC15 H23 B F2 O3P 1 21/n 113.3713; 6.2669; 18.6934
90; 91.481; 90		1565.92Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571101 CIFC14 H19 B O3 SP -16.1465; 8.6888; 14.071
102.121; 90.881; 90.055		734.63Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571102 CIFC14 H23 B O4P 1 21 110.847; 6.213; 11.06
90; 105.661; 90		717.7Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571103 CIFC14 H23 B O3P 1 21/c 19.489; 14.273; 11.565
90; 107.466; 90		1494.1Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571104 CIFC16 H20 B Br O3P -16.1342; 8.6448; 16.04
74.401; 86.768; 89.349		817.9Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571105 CIFC16 H27 B O3P -16.7371; 9.7392; 13.4409
102.908; 102.707; 103.17		802.2Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571106 CIFC19 H25 B O3P 1 21/n 16.9091; 16.369; 15.729
90; 92.089; 90		1777.7Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
1571146 CIFC48 H40 F20 Mn O4 P2 Te4I 41/a :211.8607; 11.8607; 39.8339
90; 90; 90		5603.7Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian
Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.
Chemical science, 2024, 15, 5564-5572
1571147 CIFC14 H17 Cl N2 OP -14.9523; 9.0139; 14.5673
100.404; 92.408; 94.706		636.36Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
1571148 CIFC14 H17 Cl N2 SP -15.0074; 9.0205; 15.1568
80.365; 89.851; 84.042		671.24Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
1571149 CIFC14 H15 Br Cl N2 OP 1 21/c 111.4362; 11.6969; 10.4292
90; 96.36; 90		1386.51Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
1571150 CIFC20 H22 N2 OP 21 21 218.3944; 9.3978; 20.419
90; 90; 90		1610.8Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
1571151 CIFC66.83 H62.68 Cl2.49 N8 O6P 1 2/n 114.3914; 14.9401; 33.6959
90; 91.185; 90		7243.37Yeung, Angus; Zwijnenburg, Martijn A.; Orton, Georgia R. F.; Robertson, Jennifer H.; Barendt, Timothy A.
Investigating the diastereoselective synthesis of a macrocycle under Curtin-Hammett control.
Chemical science, 2024, 15, 5516-5524
1571157 CIFC17 H17 N O4P -112.5967; 12.8747; 15.6198
72.566; 69.811; 75.602		2238.3Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.
The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions
Chemical Science, 2024, 15, 5277-5283
1571158 CIFC29 H26 N2 O5P 1 21/c 113.83436; 11.10289; 20.5729
90; 109.093; 90		2986.18Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.
The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions
Chemical Science, 2024, 15, 5277-5283
1571159 CIFC16 H15 N O5P 1 21/n 115.6843; 6.33089; 15.89366
90; 114.758; 90		1433.11Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.
The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions
Chemical Science, 2024, 15, 5277-5283
1571175 CIFC101 H132 Cu4 N4 O13R -3 :H51.7208; 51.7208; 23.7243
90; 90; 120		54961Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl
Reversible dioxygen uptake at [Cu4] clusters
Chemical Science, 2024, 15, 5327-5332
1571176 CIFC94 H115 Cu4 N5 O12.25P -114.3434; 18.4638; 19.1152
107.861; 104.915; 94.308		4590.2Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl
Reversible dioxygen uptake at [Cu4] clusters
Chemical Science, 2024, 15, 5327-5332
1571177 CIFC22 H29 B N O8.5P -17.0333; 11.0537; 15.3641
79.685; 85.884; 82.938		1164.73Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.
From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.
Chemical science, 2024, 15, 5674-5680
1571178 CIFC56 H76 B2 N2 O18P -17.7013; 13.3036; 14.8499
68.809; 86.831; 82.254		1405.59Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.
From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.
Chemical science, 2024, 15, 5674-5680
1571189 CIFC10 H18 P2P 1 21 16.148; 11.2791; 8.6416
90; 98.935; 90		591.97Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert
Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.
Chemical science, 2024, 15, 5596-5603
1571190 CIFC51 H83 N3 O6 P6P 1 21/c 17.7927; 27.0421; 26.5278
90; 96.253; 90		5556.97Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert
Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.
Chemical science, 2024, 15, 5596-5603
1571191 CIFC22 H34 Co N O PP n a 2114.7865; 10.4516; 13.5026
90; 90; 90		2086.73Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Cobalt-catalyzed double hydroboration of pyridines
Chemical Science, 2024, 15, 5201-5210
1571192 CIFC15 H19 N O2C 1 2 114.1533; 6.0972; 15.4812
90; 100.501; 90		1313.58Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Cobalt-catalyzed double hydroboration of pyridines
Chemical Science, 2024, 15, 5201-5210
1571193 CIFC28 H46 B Co N O3 PP -18.5688; 12.8423; 13.3857
100.81; 95.593; 92.022		1437.81Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Cobalt-catalyzed double hydroboration of pyridines
Chemical Science, 2024, 15, 5201-5210
1571194 CIFC24 H38 Co N O PP 1 21/n 122.308; 9.2019; 22.7534
90; 95.001; 90		4652.95Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Cobalt-catalyzed double hydroboration of pyridines
Chemical Science, 2024, 15, 5201-5210
1571195 CIFC38 H63 B Co2 N O3 PP 1 21/c 116.4812; 8.4448; 28.0381
90; 103.883; 90		3788.36Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Cobalt-catalyzed double hydroboration of pyridines
Chemical Science, 2024, 15, 5201-5210
1571196 CIFC21 H20 N3 PP 1 21/n 112.7059; 10.7086; 12.8648
90; 92.7679; 90		1748.37Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571197 CIFC14 H14 N2 O PR -3 :H24.4855; 24.4855; 11.1476
90; 90; 120		5788.02Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571198 CIFC30 H33 N4 PP 1 21/n 115.3525; 9.81549; 17.346
90; 98.1105; 90		2587.76Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571199 CIFC54 H48 N4 P4P 1 21 19.1045; 26.3845; 9.3517
90; 93.698; 90		2241.77Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571200 CIFC20 H17 N4 PP 1 21/c 117.814; 14.2764; 14.7633
90; 107.84; 90		3574.06Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571201 CIFC25 H24 N3 O PP 21 21 219.39428; 11.00098; 20.6966
90; 90; 90		2138.92Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571202 CIFC49 H40 Br4 N9 Ni2 O P2P 1 21/c 112.0937; 27.134; 15.1168
90; 104.658; 90		4799.14Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571203 CIFC27 H24 N2 O P2P -110.0468; 10.5532; 11.2334
81.121; 72.014; 84.044		1117.26Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571204 CIFC35.2 H31.2 N4.8 O2 P1.6P 1 21 112.0258; 17.4694; 19.0196
90; 102.948; 90		3894.11Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Chemical science, 2024, 15, 5980-5992
1571205 CIFC32 H56 Cl12 N2 O P2 Ti2P 1 21/c 19.683; 38.907; 13.2918
90; 106.154; 90		4809.8Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Chemical science, 2024, 15, 5555-5563
1571206 CIFC34 H59 Cl4 N2 P2 TiP 1 21/c 116.8812; 16.61; 15.6315
90; 111.688; 90		4072.7Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Chemical science, 2024, 15, 5555-5563
1571207 CIFC31 H56 Au2 Cl6 N2 P2 TiP b c a15.1125; 20.187; 27.1948
90; 90; 90		8296.5Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Chemical science, 2024, 15, 5555-5563
1571208 CIFC86 H84 B Cl3 F24 N2 O P2 TiP -112.8524; 18.0304; 21.306
102.735; 104.569; 105.177		4389.9Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Chemical science, 2024, 15, 5555-5563
1571209 CIFC58 H56 B Cl3 F24 N2 P2 TiP 1 21/c 118.2372; 18.2261; 19.3593
90; 90.255; 90		6434.8Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Chemical science, 2024, 15, 5555-5563
1571210 CIFC10 H15 N5 O3P 1 21/c 111.8542; 10.8829; 8.9354
90; 99.888; 90		1135.6Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting
Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.
Chemical science, 2024, 15, 5738-5745
1571211 CIFC10 H15 N5 O3P -19.093; 10.918; 11.805
87.335; 80.598; 86.279		1153Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting
Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.
Chemical science, 2024, 15, 5738-5745
1571212 CIFC24 H17 F4 N OP 21 21 216.4286; 8.7411; 33.5094
90; 90; 90		1882.99Fang, Chao; Wang, Quan-Pu; Xu, Bing; Zhang, Zhan-Ming; Zhang, Junliang
Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp<sup>2</sup>)-H alkylation reaction.
Chemical science, 2024, 15, 5573-5580
1571213 CIFC68 H20 F20 O4 S6P 1 21/c 118.288; 24.723; 6.9501
90; 92.813; 90		3138.6Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.
Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.
Chemical science, 2024, 15, 6022-6027
1571214 CIFC94 H74 S10P 1 21/c 118.258; 13.448; 21.934
90; 104.115; 90		5223Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.
Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.
Chemical science, 2024, 15, 6022-6027

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