Crystallography Open Database

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1565013 CIFC15 H20 Cl N O SP 21 21 217.2165; 12.5371; 16.4763
90; 90; 90		1490.68Kremsmair, Alexander; Wilke, Henrik R.; Simon, Matthias M.; Schmidt, Quirin; Karaghiosoff, Konstantin; Knochel, Paul
General stereoretentive preparation of chiral secondary mixed alkylmagnesium reagents and their use for enantioselective electrophilic aminations.
Chemical science, 2021, 13, 44-49
1565226 CIFC10 H15 N O2 SP 1 21 17.72; 7.7534; 9.0532
90; 94.725; 90		540.05Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia
Highest-Tc single-component homochiral organic ferroelectrics
Chemical Science, 2022, 13, 657-664
1565227 CIFC10 H15 N O2 SP 1 21 17.7253; 7.7557; 9.0549
90; 94.727; 90		540.68Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia
Highest-Tc single-component homochiral organic ferroelectrics
Chemical Science, 2022, 13, 657-664
1565228 CIFC10 H15 N O2 SP 1 21 17.748; 7.6312; 8.9986
90; 95.11; 90		529.941Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia
Highest-Tc single-component homochiral organic ferroelectrics
Chemical Science, 2022, 13, 657-664
1565229 CIFC10 H15 N O2 SP 1 21/m 17.699; 7.6119; 8.9599
90; 94.873; 90		523.188Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia
Highest-Tc single-component homochiral organic ferroelectrics
Chemical Science, 2022, 13, 657-664
1565230 CIFC10 H15 N O2 SP 1 21 17.7527; 7.6368; 8.9989
90; 95.097; 90		530.68Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia
Highest-Tc single-component homochiral organic ferroelectrics
Chemical Science, 2022, 13, 657-664
1565368 CIFC15 H9.97 Cl4.03 N2 SP -17.3043; 9.0923; 12.6109
80.349; 86.679; 72.338		786.73Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565369 CIFC14 H8 Cl4 N2 O SP -17.10603; 7.22142; 15.6955
83.2406; 78.4301; 71.106		745.33Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565370 CIFC15 H10 Cl4 N2 SP 1 21/n 19.1703; 13.7683; 12.5807
90; 96.799; 90		1577.26Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565371 CIFC13 H6 Cl4 N2 SP 1 21/n 114.4699; 13.6411; 16.045
90; 115.564; 90		2857Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565372 CIFC15 H10 Cl3 N2 SP 1 21/n 111.5111; 7.7055; 16.9368
90; 104.127; 90		1456.8Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565373 CIFC14 H8 Cl4 N2 SP -18.9856; 9.2182; 9.374
103.868; 94.53; 95.061		746.85Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565374 CIFC16 H12 Cl4 N2 O SP -17.4264; 11.9574; 11.966
115.075; 91.228; 95.201		956.37Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565375 CIFC15 H9.88 Cl4.12 N2 SP 1 21/n 17.8074; 15.8724; 13.5003
90; 105.795; 90		1609.82Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565376 CIFC15 H10 Cl4 N2 SP 1 21/c 17.3899; 10.5325; 20.5855
90; 96.598; 90		1591.64Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565377 CIFC15 H10 Cl3 N2 SP -19.9369; 12.2664; 13.3652
91.036; 107.068; 109.355		1457.25Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565378 CIFC16 H10.42 Cl5.58 N2 O SP 1 21/n 16.5698; 16.562; 16.941
90; 93.51; 90		1839.9Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565379 CIFC13 H6 Cl7 Ga N2 SP 1 21/c 19.5753; 9.8718; 20.099
90; 94.444; 90		1894.16Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565380 CIFC14 H8 Cl4 N2 O SP -17.0073; 9.6628; 12.0172
95.257; 106.738; 101.231		754.78Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565381 CIFC14 H11 Cl6 N3 SP -18.1354; 9.2414; 12.9459
90.608; 101.838; 105.699		914.81Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565382 CIFC12 H5.84 Cl2.16 N3 SP 1 21/c 17.4291; 18.6148; 9.0438
90; 107.796; 90		1190.83Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565383 CIFC13.5 H7 Cl4 N2 SP b c n16.7712; 13.1359; 13.0495
90; 90; 90		2874.87Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565384 CIFC14 H8 Cl4 N2 SP 1 21 19.0246; 13.7857; 12.0756
90; 98.513; 90		1485.78Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565385 CIFC16 H12 Cl4 N2 SP b c a14.2979; 14.0607; 16.3174
90; 90; 90		3280.43Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158
1565407 CIFC20 H21 NP n a 2123.603; 6.0263; 10.4104
90; 90; 90		1480.8Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke
Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.
Chemical science, 2021, 13, 99-104
1565565 CIFC22 H17 F3 N2 OP 1 21 19.4035; 10.6249; 9.5173
90; 95.379; 90		946.698Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui
Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.
Chemical science, 2021, 13, 170-177
1565566 CIFC27 H18 Br F3 N2P 21 21 2110.1505; 19.0261; 11.5778
90; 90; 90		2235.96Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui
Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.
Chemical science, 2021, 13, 170-177
1565567 CIFC25 H22 F4 N2 OP 21 21 2110.311; 12.3464; 34.9989
90; 90; 90		4455.49Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui
Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.
Chemical science, 2021, 13, 170-177
1565568 CIFF4 I3 K3 O12 V2C m c 2111.6074; 8.5215; 15.0981
90; 90; 90		1493.4Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao
K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations
Chemical Science, 2022, 13, 454-460
1565569 CIFC24 H36 B Cl3 N6 O2 WP -110.2936; 11.0038; 13.3415
98.452; 102.852; 96.092		1442.14Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565570 CIFC32.5 H43 B Cl3 N7 O4 WP -19.9415; 11.0539; 17.5643
98.146; 97.68; 105.73		1808.92Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565571 CIFC32.84 H43.68 B Cl1.68 N7 O4 WP -110.2497; 11.3925; 16.0476
105.219; 96.074; 93.672		1789.8Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565572 CIFC33.62 H45.25 B Cl1.25 N7 O4 WP 1 21/c 19.8806; 22.4324; 17.6641
90; 105.658; 90		3769.9Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565573 CIFC19 H23 B N6 O3 WP -19.7834; 11.173; 11.3156
64.197; 72.129; 88.96		1050.19Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565574 CIFC23 H32 B2 F4 N6 O3 WP -110.3289; 11.4973; 13.0257
98.414; 113.051; 92.169		1400.32Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565575 CIFC37 H53 B N8 O3 WP 1 21/n 111.4957; 22.605; 14.7243
90; 99.238; 90		3776.6Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565576 CIFC65 H84 B2 Cl6 N14 O7 W2P -115.3547; 15.392; 17.9913
82.881; 89.831; 62.331		3729.6Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.
Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Chemical science, 2021, 13, 123-132
1565577 CIFC30 H21 N3 O3P -19.6587; 11.5335; 12.4216
114.357; 102.222; 94.593		1210.05Lin, Wei; Zhao, Qun; Li, Yao; Pan, Ming; Yang, Chen; Yang, Guo-Hui; Li, Xin
Asymmetric synthesis of N-N axially chiral compounds <i>via</i> organocatalytic atroposelective <i>N</i>-acylation.
Chemical science, 2021, 13, 141-148
1565578 CIFC27 H20 N3 O PP 1 21/c 18.7349; 18.3308; 14.1743
90; 94.763; 90		2261.72Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui
High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.
Chemical science, 2021, 13, 159-169
1565579 CIFC40 H28 Cl2 N5 O PP 1 21/c 118.7793; 8.0735; 26.4549
90; 122.492; 90		3383.1Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui
High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.
Chemical science, 2021, 13, 159-169
1565580 CIFC33 H23 N4 O PP b c a8.265; 23.677; 26.571
90; 90; 90		5200Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui
High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.
Chemical science, 2021, 13, 159-169
1565590 CIFC18 H15 Br Cl F2 N O2P 1 21 111.04668; 5.51936; 14.34857
90; 101.385; 90		857.627Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong
Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides
Chemical Science, 2022, 13, 1398-1407
1565601 CIFC27 H29 N3 O4P 1 21/c 111.3563; 16.7472; 12.6545
90; 101.483; 90		2358.54Kuhn, Ariel J.; Ehlke, Beatriz; Johnstone, Timothy C.; Oliver, Scott R. J.; Raskatov, Jevgenij A.
A crystal-structural study of Pauling–Corey rippled sheets
Chemical Science, 2022, 13, 671-680
1565602 CIFC40 H52 O2 S2 Si2P -114.2639; 14.5005; 20.4969
105.307; 109.588; 90.479		3830.5Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime
Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems
Chemical Science, 2022, 13, 430-438
1565603 CIFC42 H52 S5 Si2C 1 2/c 139.5034; 9.2352; 23.1512
90; 96.916; 90		8384.61Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime
Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems
Chemical Science, 2022, 13, 430-438
1565604 CIFC18 H14 Br N O2P 1 21/c 18.8605; 21.1565; 7.8415
90; 93.025; 90		1467.9Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao
Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes
Chemical Science, 2022, 13, 478-485
1565605 CIFC20 H16 Br N O2P 1 21/c 17.9559; 6.808; 30.863
90; 91.251; 90		1671.26Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao
Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes
Chemical Science, 2022, 13, 478-485
1565606 CIFC19 H16 F3 N O2P -19.4212; 10.7629; 18.7421
94.939; 96.779; 110.576		1750.05Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao
Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes
Chemical Science, 2022, 13, 478-485
1565661 CIFC13 H14 O4 SP 1 21 18.6416; 6.2775; 10.9475
90; 96.634; 90		589.9Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P.
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes.
Chemical science, 2021, 13, 236-240
1565662 CIFC34 H68 B Ce O2 Si2P 1 21/c 17.4686; 26.405; 19.52
90; 97.925; 90		3812.7Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.
Introduction of plumbole to f-element chemistry
Chemical Science, 2022, 13, 945-954

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