Crystallography Open Database

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7133108 CIFC35 H27 Cl2 N O2P 1 21/c 112.4215; 27.311; 9.588
90; 112.62; 90		3002.5Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang
Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.
Chemical communications (Cambridge, England), 2024, 60, 6532-6535
7133109 CIFC29 H23 N O3P 1 21/c 111.302; 22.17; 9.91
90; 107.88; 90		2363Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang
Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.
Chemical communications (Cambridge, England), 2024, 60, 6532-6535
7133110 CIFC27 H25 F3 O5 SP n a 2130.2694; 7.47312; 21.66
90; 90; 90		4899.64Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.
Chemical communications (Cambridge, England), 2024, 60, 7152-7155
7133111 CIFC25 H19 F3 O4 SC 1 c 17.3296; 14.8403; 19.798
90; 99.989; 90		2120.85Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.
Chemical communications (Cambridge, England), 2024, 60, 7152-7155
7133112 CIFC24 H19 B F4 OP 1 21/n 16.8567; 19.3806; 14.5799
90; 93.309; 90		1934.25Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.
Chemical communications (Cambridge, England), 2024, 60, 7152-7155
7133113 CIFC26 H19 F6 N O5 S2P -17.7877; 13.5269; 14.2246
115.433; 102.323; 95.02		1294.53Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.
Chemical communications (Cambridge, England), 2024, 60, 7152-7155
7133114 CIFC26 H19 F6 N O5 S2P -114.2426; 14.5647; 15.1706
117.808; 98.1608; 104.991		2558.64Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.
Chemical communications (Cambridge, England), 2024, 60, 7152-7155
7133115 CIFC17 H11 F3 N2 O4P -19.7758; 10.513; 11.2193
90.001; 112.552; 105.12		1021.51Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen
Divergent synthesis of pyrrolizine derivatives through C-H bond functionalization of pyrroles.
Chemical communications (Cambridge, England), 2024, 60, 6536-6539
7133116 CIFC17 H15 F3 N2 O3P 1 21/c 110.9356; 17.2071; 9.5578
90; 113.916; 90		1644.07Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen
Divergent synthesis of pyrrolizine derivatives through C-H bond functionalization of pyrroles.
Chemical communications (Cambridge, England), 2024, 60, 6536-6539
7133117 CIFC39 H50 N PP -110.7562; 13.4826; 14.1323
115.435; 107.508; 96.665		1692Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133118 CIFC33 H36 Br NP 1 21/c 110.4197; 14.0561; 18.9616
90; 100.363; 90		2731.82Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133119 CIFC109 H143 La2 N2 O P5P -115.498; 16.566; 22.288
76.309; 70.924; 69.957		5030.1Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133120 CIFC47 H69 K N O2 PP 1 21/n 111.463; 16.2623; 24.992
90; 97.374; 90		4620.3Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133121 CIFC164 H216 Cl10 K2 La4 N4 O2 P4P -112.833; 16.681; 21.1112
98.117; 100.137; 108.631		4120Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133122 CIFC85.6 H117 Cl La N2 O1.9 P2P 1 21/c 120.5986; 24.7411; 32.569
90; 95.767; 90		16514.2Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.
A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.
Chemical communications (Cambridge, England), 2024, 60, 7299-7302
7133123 CIFC11 H11 N9 OP 1 21/c 16.4786; 15.6097; 13.6164
90; 100.478; 90		1354.05Liu, Ziwei; Jiang, Clancy Zhijian; Bond, Andrew D.; Tosca, Nicholas J.; Sutherland, John D.
Manganese(II) promotes prebiotically plausible non-enzymatic RNA ligation reactions.
Chemical communications (Cambridge, England), 2024, 60, 6528-6531
7133124 CIFC46 H48 Br2 N2 O6 S4P -113.3806; 13.864; 15.8118
114.886; 90.41; 117.953		2272.67Li, Jia; Li, Liang; Mao, Mingming; Li, Rui-Peng; Huo, Xing; Tang, Shouchu
Site-selective synthesis of indanyl-substituted indole derivatives <i>via</i> 1,3-dithiane induced Nazarov cyclization.
Chemical communications (Cambridge, England), 2024, 60, 6540-6543
7133125 CIFC165 H129 Ce4 N39 O27P -122.747; 25.744; 26.168
82.095; 83.235; 63.886		13601Zhao, Lehua; Zhang, Yu; Wang, Huali; Wang, Jing; He, Cheng; Zhao, Liang; Duan, Chunying
Isolation of a copper photocatalyst on a metal-organic cage for the sulfonylation of aryl halides resulting from visible-light-mediated C(sp<sup>2</sup>)-S cross-coupling.
Chemical communications (Cambridge, England), 2024, 60, 6805-6808
7133126 CIFC27 H23 F Ge OP -19.8789; 11.0575; 11.8202
106.201; 104.242; 105.035		1124.69Lu, Xiao-Yu; Qian, Yu-Jun; Sun, Hai-Lun; Su, Meng-Xue; Wang, Zi-Zhen; Jiang, Fan; Zhou, Xin-Yue; Sun, Yan-Xi; Shi, Wan-Li; Wan, Ji-Ru
Photoinduced decarboxylative germylation of α-fluoroacrylic acids: access to germylated monofluoroalkenes.
Chemical communications (Cambridge, England), 2024, 60, 6556-6559
7133127 CIFC14 H16 N4 O5P 1 21/n 113.8775; 7.5913; 15.0147
90; 116.937; 90		1410.2Al Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav
Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.
Chemical communications (Cambridge, England), 2024, 60, 7431-7434
7133128 CIFC14 H24 N4 O9P 42/n :223.1123; 23.1123; 6.8449
90; 90; 90		3656.4Al Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav
Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.
Chemical communications (Cambridge, England), 2024, 60, 7431-7434
7133129 CIFC13 H16 Br2 N4 O3 WP 1 21/n 110.5949; 14.4051; 11.7972
90; 91.105; 90		1800.16Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C
Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.
Chemical communications (Cambridge, England), 2024, 60, 6873-6876
7133130 CIFC11 H12 Br2 Cl3 N3 O3 WP -19.2942; 10.3885; 11.1039
63.402; 75.498; 79.694		925.34Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C
Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.
Chemical communications (Cambridge, England), 2024, 60, 6873-6876
7133131 CIFC22 H30 Br Cl3 N6 O4 W2P 21 21 27.857; 15.9287; 12.3215
90; 90; 90		1542.06Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C
Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.
Chemical communications (Cambridge, England), 2024, 60, 6873-6876
7133132 CIFC15 H21 Br2 N5 O WP 1 21/c 111.3229; 8.0358; 21.4613
90; 95.852; 90		1942.56Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C
Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.
Chemical communications (Cambridge, England), 2024, 60, 6873-6876
7133133 CIFC15 H20 O5P -110.7822; 10.9047; 12.0558
88.037; 83.186; 89.353		1406.6Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.
Chemical communications (Cambridge, England), 2024, 60, 6639-6642
7133134 CIFC18 H23 F3 O7 SP 21 21 218.8302; 11.4492; 20.293
90; 90; 90		2051.6Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.
Chemical communications (Cambridge, England), 2024, 60, 6639-6642
7133135 CIFC24 H27 F3 O7 SP -113.4729; 13.6729; 14.874
65.885; 84.653; 77.547		2442Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.
Chemical communications (Cambridge, England), 2024, 60, 6639-6642
7133136 CIFC20 H30 OP -16.0028; 11.2789; 13.1074
64.982; 80.954; 87.69		793.83Dethe, Dattatraya H.; Sharma, Nitin; Juyal, Sakshi; Singh, Prabhakar; Siddiqui, Salman A.
Enantioselective total synthesis of atisane diterpenoids: (+)-sapinsigin H, (+)-agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one.
Chemical communications (Cambridge, England), 2024, 60, 7866-7869
7133137 CIFC61 H92 Cr Li N4 O5P -112.3655; 14.1523; 19.2237
69.523; 76.232; 65.51		2850.94D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
Chemical communications (Cambridge, England), 2024, 60, 6785-6788
7133138 CIFC62 H95 Cr Li N4 O5P -111.7699; 16.1506; 17.7227
97.669; 105.27; 108.783		2987.77D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
Chemical communications (Cambridge, England), 2024, 60, 6785-6788
7133139 CIFC61 H90 Cr K N4 O8P -111.7863; 14.0237; 19.3145
85.096; 78.035; 75.843		3026.2D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
Chemical communications (Cambridge, England), 2024, 60, 6785-6788
7133140 CIFC102 H140 Cr2 K2 N8 O5R -3 :H41.8744; 41.8744; 15.4776
90; 90; 120		23503.4D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
Chemical communications (Cambridge, England), 2024, 60, 6785-6788
7133141 CIFC140 H202 Cr2 K2 N8 O17P -112.1161; 19.5547; 29.7051
82.767; 81.408; 78.704		6790.16D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
Chemical communications (Cambridge, England), 2024, 60, 6785-6788
7133142 CIFC70 H63 B Cl3 F24 N2 O3 PP -112.6492; 13.6605; 21.8343
81.4; 78.136; 78.97		3600.1Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133143 CIFC149 H136 B2 F48 N4 O6 P2P -113.6399; 16.8477; 19.2953
115.857; 102.316; 98.273		3754.1Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133144 CIFC45 H60 Cl7 Ga2 N2 O3 PC 1 c 120.964; 12.2176; 20.1457
90; 93.743; 90		5148.9Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133145 CIFC86 H85 B F24 N5 O3 PP -112.1449; 18.623; 20.405
70.624; 73.911; 75.97		4125.1Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133146 CIFC91 H88 B F24 N2 O3 PP 1 21/n 113.9705; 31.6393; 19.2626
90; 93.898; 90		8494.7Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133147 CIFC89.36 H97.27 B F24 N2 O3 P SiP -113.1456; 17.6698; 20.0734
95.272; 103.875; 91.26		4502.8Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133148 CIFC79 H74 B F24 N2 O3 PP -113.9743; 16.814; 19.335
115.292; 106.112; 94.371		3845.7Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133149 CIFC79 H64 B F24 N2 O3 PP 1 21/c 112.366; 20.9073; 29.743
90; 97.228; 90		7628.6Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel
P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.
Chemical communications (Cambridge, England), 2024, 60, 6745-6748
7133150 CIFC28 H30 N2 O4C 1 c 114.4111; 20.2712; 10.3678
90; 129.444; 90		2338.94Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji
Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.
Chemical communications (Cambridge, England), 2024, 60, 6797-6800
7133151 CIFC29 H32 Cl2 N2 O4P -19.9028; 11.7064; 11.8877
89.667; 74.086; 77.512		1291.8Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji
Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.
Chemical communications (Cambridge, England), 2024, 60, 6797-6800
7133152 CIFC31 H46 F N S Si2P 1 21 18.1462; 13.1951; 15.8775
90; 96.946; 90		1694.15Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan
Regiodivergent C-H alkynylation of 2-arylthiazoles switched by Ru<sup>II</sup> and Pd<sup>II</sup> catalysis.
Chemical communications (Cambridge, England), 2024, 60, 6679-6682
7133153 CIFC22 H29 N O S SiP -18.798; 12.4654; 21.0908
104.49; 90.974; 91.921		2237.4Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan
Regiodivergent C-H alkynylation of 2-arylthiazoles switched by Ru<sup>II</sup> and Pd<sup>II</sup> catalysis.
Chemical communications (Cambridge, England), 2024, 60, 6679-6682
7133154 CIFC38 H39 N O8P 21 21 217.7775; 19.6476; 22.0751
90; 90; 90		3373.28Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-Ichi
Total synthesis of 1,4a-di-<i>epi-ent</i>-pancratistatin, exemplifying a stereodivergent approach to pancratistatin isomers.
Chemical communications (Cambridge, England), 2024, 60, 6757-6760
7133155 CIFC51 H39 Cl2 N O13P 1 21 110.8258; 13.1828; 15.3126
90; 79.363; 90		2147.78Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-Ichi
Total synthesis of 1,4a-di-<i>epi-ent</i>-pancratistatin, exemplifying a stereodivergent approach to pancratistatin isomers.
Chemical communications (Cambridge, England), 2024, 60, 6757-6760
7133156 CIFC6 H22 Br5 In N2 O2P n m a20.264; 7.9353; 11.0226
90; 90; 90		1772.4Biswas, Shuva; Mandal, Arnab; Swain, Diptikanta; Biswas, Kanishka
Synthesis and soft crystal structure-induced broad emission of (NH<sub>3</sub>C<sub>6</sub>H<sub>12</sub>NH<sub>3</sub>)InBr<sub>5</sub>·2H<sub>2</sub>O.
Chemical communications (Cambridge, England), 2024, 60, 7757-7760
7133157 CIFC6 H22 Br5 In N2 O2P 1 21/n 17.8333; 20.223; 10.9317
90; 91.232; 90		1731.3Biswas, Shuva; Mandal, Arnab; Swain, Diptikanta; Biswas, Kanishka
Synthesis and soft crystal structure-induced broad emission of (NH<sub>3</sub>C<sub>6</sub>H<sub>12</sub>NH<sub>3</sub>)InBr<sub>5</sub>·2H<sub>2</sub>O.
Chemical communications (Cambridge, England), 2024, 60, 7757-7760

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