Crystallography Open Database

Result : There are 551 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

We are displaying first 300 results.

Searching journal of publication like 'Chemical science' volume of publication is 13

COD ID: 1565013
CIF file Formula: - C15 H20 Cl N O S -
Comments: Kremsmair, 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 13(1) (2021) 44-49
Space group: P 21 21 21
Cell volume: 1490.68
Cell parameters: 7.2165; 12.5371; 16.4763; 90; 90; 90;  

COD ID: 1565226
CIF file Formula: - C10 H15 N O2 S -
Comments: Li, 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 13(3) (2022) 657-664
Space group: P 1 21 1
Cell volume: 540.05
Cell parameters: 7.72; 7.7534; 9.0532; 90; 94.725; 90;  

COD ID: 1565227
CIF file Formula: - C10 H15 N O2 S -
Comments: Li, 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 13(3) (2022) 657-664
Space group: P 1 21 1
Cell volume: 540.68
Cell parameters: 7.7253; 7.7557; 9.0549; 90; 94.727; 90;  

COD ID: 1565228
CIF file Formula: - C10 H15 N O2 S -
Comments: Li, 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 13(3) (2022) 657-664
Space group: P 1 21 1
Cell volume: 529.941
Cell parameters: 7.748; 7.6312; 8.9986; 90; 95.11; 90;  

COD ID: 1565229
CIF file Formula: - C10 H15 N O2 S -
Comments: Li, 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 13(3) (2022) 657-664
Space group: P 1 21/m 1
Cell volume: 523.188
Cell parameters: 7.699; 7.6119; 8.9599; 90; 94.873; 90;  

COD ID: 1565230
CIF file Formula: - C10 H15 N O2 S -
Comments: Li, 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 13(3) (2022) 657-664
Space group: P 1 21 1
Cell volume: 530.68
Cell parameters: 7.7527; 7.6368; 8.9989; 90; 95.097; 90;  

COD ID: 1565368
CIF file Formula: - C15 H9.97 Cl4.03 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 786.73
Cell parameters: 7.3043; 9.0923; 12.6109; 80.349; 86.679; 72.338;  

COD ID: 1565369
CIF file Formula: - C14 H8 Cl4 N2 O S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 745.33
Cell parameters: 7.10603; 7.22142; 15.6955; 83.2406; 78.4301; 71.106;  

COD ID: 1565370
CIF file Formula: - C15 H10 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/n 1
Cell volume: 1577.26
Cell parameters: 9.1703; 13.7683; 12.5807; 90; 96.799; 90;  

COD ID: 1565371
CIF file Formula: - C13 H6 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/n 1
Cell volume: 2857
Cell parameters: 14.4699; 13.6411; 16.045; 90; 115.564; 90;  

COD ID: 1565372
CIF file Formula: - C15 H10 Cl3 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/n 1
Cell volume: 1456.8
Cell parameters: 11.5111; 7.7055; 16.9368; 90; 104.127; 90;  

COD ID: 1565373
CIF file Formula: - C14 H8 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 746.85
Cell parameters: 8.9856; 9.2182; 9.374; 103.868; 94.53; 95.061;  

COD ID: 1565374
CIF file Formula: - C16 H12 Cl4 N2 O S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 956.37
Cell parameters: 7.4264; 11.9574; 11.966; 115.075; 91.228; 95.201;  

COD ID: 1565375
CIF file Formula: - C15 H9.88 Cl4.12 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/n 1
Cell volume: 1609.82
Cell parameters: 7.8074; 15.8724; 13.5003; 90; 105.795; 90;  

COD ID: 1565376
CIF file Formula: - C15 H10 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/c 1
Cell volume: 1591.64
Cell parameters: 7.3899; 10.5325; 20.5855; 90; 96.598; 90;  

COD ID: 1565377
CIF file Formula: - C15 H10 Cl3 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 1457.25
Cell parameters: 9.9369; 12.2664; 13.3652; 91.036; 107.068; 109.355;  

COD ID: 1565378
CIF file Formula: - C16 H10.42 Cl5.58 N2 O S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/n 1
Cell volume: 1839.9
Cell parameters: 6.5698; 16.562; 16.941; 90; 93.51; 90;  

COD ID: 1565379
CIF file Formula: - C13 H6 Cl7 Ga N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/c 1
Cell volume: 1894.16
Cell parameters: 9.5753; 9.8718; 20.099; 90; 94.444; 90;  

COD ID: 1565380
CIF file Formula: - C14 H8 Cl4 N2 O S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 754.78
Cell parameters: 7.0073; 9.6628; 12.0172; 95.257; 106.738; 101.231;  

COD ID: 1565381
CIF file Formula: - C14 H11 Cl6 N3 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P -1
Cell volume: 914.81
Cell parameters: 8.1354; 9.2414; 12.9459; 90.608; 101.838; 105.699;  

COD ID: 1565382
CIF file Formula: - C12 H5.84 Cl2.16 N3 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21/c 1
Cell volume: 1190.83
Cell parameters: 7.4291; 18.6148; 9.0438; 90; 107.796; 90;  

COD ID: 1565383
CIF file Formula: - C13.5 H7 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P b c n
Cell volume: 2874.87
Cell parameters: 16.7712; 13.1359; 13.0495; 90; 90; 90;  

COD ID: 1565384
CIF file Formula: - C14 H8 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P 1 21 1
Cell volume: 1485.78
Cell parameters: 9.0246; 13.7857; 12.0756; 90; 98.513; 90;  

COD ID: 1565385
CIF file Formula: - C16 H12 Cl4 N2 S -
Comments: Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. A short, versatile route towards benzothiadiazinyl radicals. Chemical science 13(1) (2021) 149-158
Space group: P b c a
Cell volume: 3280.43
Cell parameters: 14.2979; 14.0607; 16.3174; 90; 90; 90;  

COD ID: 1565407
CIF file Formula: - C20 H21 N -
Comments: Chen, 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 13(1) (2021) 99-104
Space group: P n a 21
Cell volume: 1480.8
Cell parameters: 23.603; 6.0263; 10.4104; 90; 90; 90;  

COD ID: 1565565
CIF file Formula: - C22 H17 F3 N2 O -
Comments: Zhu, 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 13(1) (2021) 170-177
Space group: P 1 21 1
Cell volume: 946.698
Cell parameters: 9.4035; 10.6249; 9.5173; 90; 95.379; 90;  

COD ID: 1565566
CIF file Formula: - C27 H18 Br F3 N2 -
Comments: Zhu, 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 13(1) (2021) 170-177
Space group: P 21 21 21
Cell volume: 2235.96
Cell parameters: 10.1505; 19.0261; 11.5778; 90; 90; 90;  

COD ID: 1565567
CIF file Formula: - C25 H22 F4 N2 O -
Comments: Zhu, 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 13(1) (2021) 170-177
Space group: P 21 21 21
Cell volume: 4455.49
Cell parameters: 10.311; 12.3464; 34.9989; 90; 90; 90;  

COD ID: 1565568
CIF file Formula: - F4 I3 K3 O12 V2 -
Comments: Chen, 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 13(2) (2022) 454-460
Space group: C m c 21
Cell volume: 1493.4
Cell parameters: 11.6074; 8.5215; 15.0981; 90; 90; 90;  

COD ID: 1565569
CIF file Formula: - C24 H36 B Cl3 N6 O2 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 1442.14
Cell parameters: 10.2936; 11.0038; 13.3415; 98.452; 102.852; 96.092;  

COD ID: 1565570
CIF file Formula: - C32.5 H43 B Cl3 N7 O4 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 1808.92
Cell parameters: 9.9415; 11.0539; 17.5643; 98.146; 97.68; 105.73;  

COD ID: 1565571
CIF file Formula: - C32.84 H43.68 B Cl1.68 N7 O4 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 1789.8
Cell parameters: 10.2497; 11.3925; 16.0476; 105.219; 96.074; 93.672;  

COD ID: 1565572
CIF file Formula: - C33.62 H45.25 B Cl1.25 N7 O4 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P 1 21/c 1
Cell volume: 3769.9
Cell parameters: 9.8806; 22.4324; 17.6641; 90; 105.658; 90;  

COD ID: 1565573
CIF file Formula: - C19 H23 B N6 O3 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 1050.19
Cell parameters: 9.7834; 11.173; 11.3156; 64.197; 72.129; 88.96;  

COD ID: 1565574
CIF file Formula: - C23 H32 B2 F4 N6 O3 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 1400.32
Cell parameters: 10.3289; 11.4973; 13.0257; 98.414; 113.051; 92.169;  

COD ID: 1565575
CIF file Formula: - C37 H53 B N8 O3 W -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P 1 21/n 1
Cell volume: 3776.6
Cell parameters: 11.4957; 22.605; 14.7243; 90; 99.238; 90;  

COD ID: 1565576
CIF file Formula: - C65 H84 B2 Cl6 N14 O7 W2 -
Comments: Timmermann, 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 13(1) (2021) 123-132
Space group: P -1
Cell volume: 3729.6
Cell parameters: 15.3547; 15.392; 17.9913; 82.881; 89.831; 62.331;  

COD ID: 1565577
CIF file Formula: - C30 H21 N3 O3 -
Comments: Lin, 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 13(1) (2021) 141-148
Space group: P -1
Cell volume: 1210.05
Cell parameters: 9.6587; 11.5335; 12.4216; 114.357; 102.222; 94.593;  

COD ID: 1565578
CIF file Formula: - C27 H20 N3 O P -
Comments: Duan, 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 13(1) (2021) 159-169
Space group: P 1 21/c 1
Cell volume: 2261.72
Cell parameters: 8.7349; 18.3308; 14.1743; 90; 94.763; 90;  

COD ID: 1565579
CIF file Formula: - C40 H28 Cl2 N5 O P -
Comments: Duan, 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 13(1) (2021) 159-169
Space group: P 1 21/c 1
Cell volume: 3383.1
Cell parameters: 18.7793; 8.0735; 26.4549; 90; 122.492; 90;  

COD ID: 1565580
CIF file Formula: - C33 H23 N4 O P -
Comments: Duan, 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 13(1) (2021) 159-169
Space group: P b c a
Cell volume: 5200
Cell parameters: 8.265; 23.677; 26.571; 90; 90; 90;  

COD ID: 1565590
CIF file Formula: - C18 H15 Br Cl F2 N O2 -
Comments: Xu, 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 13(5) (2022) 1398-1407
Space group: P 1 21 1
Cell volume: 857.627
Cell parameters: 11.04668; 5.51936; 14.34857; 90; 101.385; 90;  

COD ID: 1565601
CIF file Formula: - C27 H29 N3 O4 -
Comments: Kuhn, 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 13(3) (2022) 671-680
Space group: P 1 21/c 1
Cell volume: 2358.54
Cell parameters: 11.3563; 16.7472; 12.6545; 90; 101.483; 90;  

COD ID: 1565602
CIF file Formula: - C40 H52 O2 S2 Si2 -
Comments: Gao, 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 13(2) (2022) 430-438
Space group: P -1
Cell volume: 3830.5
Cell parameters: 14.2639; 14.5005; 20.4969; 105.307; 109.588; 90.479;  

COD ID: 1565603
CIF file Formula: - C42 H52 S5 Si2 -
Comments: Gao, 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 13(2) (2022) 430-438
Space group: C 1 2/c 1
Cell volume: 8384.61
Cell parameters: 39.5034; 9.2352; 23.1512; 90; 96.916; 90;  

COD ID: 1565604
CIF file Formula: - C18 H14 Br N O2 -
Comments: Yuan, 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 13(2) (2022) 478-485
Space group: P 1 21/c 1
Cell volume: 1467.9
Cell parameters: 8.8605; 21.1565; 7.8415; 90; 93.025; 90;  

COD ID: 1565605
CIF file Formula: - C20 H16 Br N O2 -
Comments: Yuan, 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 13(2) (2022) 478-485
Space group: P 1 21/c 1
Cell volume: 1671.26
Cell parameters: 7.9559; 6.808; 30.863; 90; 91.251; 90;  

COD ID: 1565606
CIF file Formula: - C19 H16 F3 N O2 -
Comments: Yuan, 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 13(2) (2022) 478-485
Space group: P -1
Cell volume: 1750.05
Cell parameters: 9.4212; 10.7629; 18.7421; 94.939; 96.779; 110.576;  

COD ID: 1565661
CIF file Formula: - C13 H14 O4 S -
Comments: Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P. Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes. Chemical science 13(1) (2021) 236-240
Space group: P 1 21 1
Cell volume: 589.9
Cell parameters: 8.6416; 6.2775; 10.9475; 90; 96.634; 90;  

COD ID: 1565662
CIF file Formula: - C34 H68 B Ce O2 Si2 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21/c 1
Cell volume: 3812.7
Cell parameters: 7.4686; 26.405; 19.52; 90; 97.925; 90;  

COD ID: 1565663
CIF file Formula: - C30 H60 B Er O Si2 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P n m a
Cell volume: 3363.1
Cell parameters: 15.8956; 24.908; 8.4943; 90; 90; 90;  

COD ID: 1565664
CIF file Formula: - C34 H68 B O2 Si2 Sm -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21/c 1
Cell volume: 3804
Cell parameters: 7.5051; 26.3267; 19.4417; 90; 98.004; 90;  

COD ID: 1565665
CIF file Formula: - C58 H96 Er Li O Pb Si4 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 2951.02
Cell parameters: 13.3164; 13.319; 16.7792; 90; 97.425; 90;  

COD ID: 1565666
CIF file Formula: - C65 H104 Li O Pb Si4 Sm -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21/n 1
Cell volume: 6674.9
Cell parameters: 13.5678; 13.7727; 35.796; 90; 93.725; 90;  

COD ID: 1565667
CIF file Formula: - C70 H126.8 Er Li O4 Pb Si4 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21/n 1
Cell volume: 7494.4
Cell parameters: 22.0069; 16.3287; 22.8084; 90; 113.88; 90;  

COD ID: 1565668
CIF file Formula: - C58 H96 Ce Li O Pb Si4 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 3046.2
Cell parameters: 13.4211; 13.6559; 16.7671; 90; 97.576; 90;  

COD ID: 1565669
CIF file Formula: - C73.5 H124 Er Li O8 Pb Si4 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P -1
Cell volume: 3923.4
Cell parameters: 13.1318; 13.3996; 24.0543; 90.114; 99.276; 109.783;  

COD ID: 1565670
CIF file Formula: - C58 H97 La Li O Pb Si4 -
Comments: Münzfeld, 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 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 3061.59
Cell parameters: 13.4752; 13.6204; 16.909; 90; 99.42; 90;  

COD ID: 1565671
CIF file Formula: - C16 H25 Cl2 Fe N3 O12 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: P 1 21 1
Cell volume: 2340.7
Cell parameters: 14.194; 10.712; 15.769; 90; 102.51; 90;  

COD ID: 1565672
CIF file Formula: - C32 H46 Cl4 Fe2 N6 O23 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: C 1 2/c 1
Cell volume: 4450.5
Cell parameters: 15.9079; 17.3412; 16.1343; 90; 90.724; 90;  

COD ID: 1565673
CIF file Formula: - C16 H21 Cl2 Mn N3 O2 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: P n a 21
Cell volume: 3576.8
Cell parameters: 14.289; 8.933; 28.022; 90; 90; 90;  

COD ID: 1565674
CIF file Formula: - C20 H16 O3 -
Comments: Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide. Chemical science 13(1) (2021) 241-246
Space group: P 1 21/n 1
Cell volume: 1490.69
Cell parameters: 7.5343; 17.2112; 11.5465; 90; 95.379; 90;  

COD ID: 1565715
CIF file Formula: - C31 H20 N2 -
Comments: Shang, Qian; Tang, Haifang; Liu, Yongping; Yin, MingMing; Su, Lebin; Xie, Shimin; Liu, Lixin; Yang, Wen; Chen, Yi; Dong, Jianyu; Zhou, Yongbo; Yin, Shuang-Feng Cu(i) catalysis for selective condensation/bicycloaromatization of two different arylalkynes: direct and general construction of functionalized C-N axial biaryl compounds. Chemical science 13(1) (2021) 263-273
Space group: P 1 21/c 1
Cell volume: 2333.6
Cell parameters: 18.4424; 17.3145; 7.318; 90; 93.009; 90;  

COD ID: 1565762
CIF file Formula: - C18 H15 Al F28 O3 Si -
Comments: Barthélemy, Antoine; Glootz, Kim; Scherer, Harald; Hanske, Annaleah; Krossing, Ingo Ga±catalyzed hydrosilylation? About the surprising system Ga+/HSiR3/olefin, proof of oxidation with subvalent Ga+ and silylium catalysis with perfluoroalkoxyaluminate anions Chemical Science 13(2) (2022) 439-453
Space group: P 1 21/n 1
Cell volume: 3006
Cell parameters: 9.757; 17.585; 17.518; 90; 90.187; 90;  

COD ID: 1565790
CIF file Formula: - C80 H76 K Nd O6 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/c 1
Cell volume: 9988.95
Cell parameters: 15.07667; 18.20509; 36.5229; 90; 94.8279; 90;  

COD ID: 1565791
CIF file Formula: - C84 H84 O7 Si4 Tb -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: C 1 2/c 1
Cell volume: 8211.1
Cell parameters: 16.445; 23.0841; 21.7459; 90; 95.923; 90;  

COD ID: 1565792
CIF file Formula: - C92 H78 N O5 P Pr Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/c 1
Cell volume: 8532.69
Cell parameters: 14.39059; 21.1314; 28.0674; 90; 91.3627; 90;  

COD ID: 1565793
CIF file Formula: - C84 H84 Ce O7 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: C 1 2/c 1
Cell volume: 8286.5
Cell parameters: 16.5246; 23.1693; 21.7608; 90; 95.951; 90;  

COD ID: 1565794
CIF file Formula: - C94 H92 Ce K O6 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P b c a
Cell volume: 16192.4
Cell parameters: 15.5527; 26.7995; 38.849; 90; 90; 90;  

COD ID: 1565795
CIF file Formula: - C84 H84 Gd K O7 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/n 1
Cell volume: 8451.1
Cell parameters: 13.4724; 28.4527; 22.4563; 90; 100.959; 90;  

COD ID: 1565796
CIF file Formula: - C111 H99 K2 Nd O5 Si5 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/n 1
Cell volume: 10187.8
Cell parameters: 19.0352; 23.9418; 22.3713; 90; 92.2121; 90;  

COD ID: 1565814
CIF file Formula: - C77 H81.33 Cl4.17 Co2 N8 O1.67 -
Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697
Space group: P -3
Cell volume: 13035.1
Cell parameters: 31.1312; 31.1312; 15.5307; 90; 90; 120;  

COD ID: 1565815
CIF file Formula: - C81 H92 Cl8 N8 O3 Zn2 -
Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697
Space group: P 1 21/c 1
Cell volume: 8020
Cell parameters: 28.535; 13.861; 20.682; 90; 101.36; 90;  

COD ID: 1565816
CIF file Formula: - C77 H80 Cl4 Co2 N8 -
Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697
Space group: P 1 21/c 1
Cell volume: 8234.6
Cell parameters: 28.3373; 14.5574; 20.3283; 90; 100.895; 90;  

COD ID: 1565817
CIF file Formula: - C152 H152 N16 Pd4 -
Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697
Space group: P -1
Cell volume: 6199
Cell parameters: 11.694; 20.7153; 27.718; 68.59; 89.019; 82.809;  

COD ID: 1565818
CIF file Formula: - C16 H24 B F4 N -
Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008
Space group: I b a 2
Cell volume: 9823.3
Cell parameters: 26.2135; 48.489; 7.7284; 90; 90; 90;  

COD ID: 1565819
CIF file Formula: - C24 H24 O3 -
Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008
Space group: P 1 21 1
Cell volume: 1917.85
Cell parameters: 6.0869; 17.6346; 17.8806; 90; 92.23; 90;  

COD ID: 1565820
CIF file Formula: - C24 H20 F6 O6 S4 -
Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008
Space group: P 1 21/n 1
Cell volume: 2534.5
Cell parameters: 9.1824; 17.1893; 16.2826; 90; 99.542; 90;  

COD ID: 1565821
CIF file Formula: - C23 H20 I N O2 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P b c a
Cell volume: 3839.9
Cell parameters: 14.3788; 7.5241; 35.493; 90; 90; 90;  

COD ID: 1565822
CIF file Formula: - C23 H20 I N O2 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P 1
Cell volume: 986.31
Cell parameters: 8.7754; 8.8984; 12.8772; 99.2233; 96.0361; 91.197;  

COD ID: 1565823
CIF file Formula: - C33 H27 N O3 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P 1
Cell volume: 1246.24
Cell parameters: 6.3151; 11.198; 17.7567; 85.4422; 85.449; 86.8128;  

COD ID: 1565833
CIF file Formula: - C10 H14 O4 -
Comments: Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science 13(3) (2022) 748-753
Space group: P 1 21 1
Cell volume: 491.31
Cell parameters: 6.29835; 10.64131; 7.53892; 90; 103.504; 90;  

COD ID: 1565834
CIF file Formula: - C10 H14 O4 -
Comments: Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science 13(3) (2022) 748-753
Space group: P 1 21 1
Cell volume: 513.67
Cell parameters: 6.3879; 10.8484; 7.6137; 90; 103.203; 90;  

COD ID: 1565835
CIF file Formula: - C10 H11 Fe N4 -
Comments: López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science 13(3) (2022) 842-847
Space group: I -4 3 m
Cell volume: 5064.3
Cell parameters: 17.1728; 17.1728; 17.1728; 90; 90; 90;  

COD ID: 1565836
CIF file Formula: - C12 H14 Fe N4 -
Comments: López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science 13(3) (2022) 842-847
Space group: I -4 3 m
Cell volume: 5193
Cell parameters: 17.317; 17.317; 17.317; 90; 90; 90;  

COD ID: 1565837
CIF file Formula: - C25 H20 O4 -
Comments: Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science 13(4) (2022) 1163-1168
Space group: P 61
Cell volume: 3144.36
Cell parameters: 17.6742; 17.6742; 11.6231; 90; 90; 120;  

COD ID: 1565838
CIF file Formula: - C25 H22 O4 -
Comments: Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science 13(4) (2022) 1163-1168
Space group: P 21 21 21
Cell volume: 1957.29
Cell parameters: 6.5263; 13.9032; 21.5712; 90; 90; 90;  

COD ID: 1565840
CIF file Formula: - C22 H19 Cl5 N2 Zn -
Comments: Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A. α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos Chemical Science 13(5) (2022) 1469-1477
Space group: P 1 21/c 1
Cell volume: 4818.4
Cell parameters: 23.376; 10.6352; 20.2506; 90; 106.848; 90;  

COD ID: 1565906
CIF file Formula: - C24 H29 N O3 -
Comments: Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science 13(3) (2022) 775-780
Space group: C 1 2/c 1
Cell volume: 4107.88
Cell parameters: 32.9756; 9.2126; 13.7861; 90; 101.232; 90;  

COD ID: 1565907
CIF file Formula: - C27 H27 N O3 -
Comments: Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science 13(3) (2022) 775-780
Space group: C 1 c 1
Cell volume: 4516.98
Cell parameters: 5.7626; 21.7654; 36.032; 90; 91.845; 90;  

COD ID: 1565908
CIF file Formula: - C23 H26 N2 O3 -
Comments: Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis Chemical Science 13(4) (2022) 1088-1094
Space group: P 1 21 1
Cell volume: 1035.79
Cell parameters: 9.4239; 10.0699; 11.235; 90; 103.712; 90;  

COD ID: 1565909
CIF file Formula: - C12 H9 Br F N3 O -
Comments: Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro Ring-opening fluorination of bicyclic azaarenes Chemical Science 13(3) (2022) 665-670
Space group: P 1 21 1
Cell volume: 610.89
Cell parameters: 8.0916; 6.0738; 12.9097; 90; 105.671; 90;  

COD ID: 1565910
CIF file Formula: - C16 H13 N O3 -
Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483
Space group: P 1 21/c 1
Cell volume: 1273.85
Cell parameters: 8.8242; 7.5306; 19.3128; 90; 96.98; 90;  

COD ID: 1565911
CIF file Formula: - C13 H15 N O4 -
Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483
Space group: P 1 21/c 1
Cell volume: 1272.96
Cell parameters: 6.8237; 21.9249; 8.5663; 90; 96.654; 90;  

COD ID: 1565912
CIF file Formula: - C22 H23 N O2 -
Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483
Space group: P 1 21/c 1
Cell volume: 1755.74
Cell parameters: 11.917; 7.3388; 20.1019; 90; 92.932; 90;  

COD ID: 1565913
CIF file Formula: - C20 H21 N O2 -
Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483
Space group: P -1
Cell volume: 1659.59
Cell parameters: 6.9435; 11.9044; 21.0418; 74.164; 85.968; 83.016;  

COD ID: 1565914
CIF file Formula: - C108 H128 Cl4 N12 O26 -
Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803
Space group: P 1 21/c 1
Cell volume: 13256
Cell parameters: 13.6939; 19.0018; 50.945; 90; 90.412; 90;  

COD ID: 1565915
CIF file Formula: - C49 H57 Cl2 N6 O11.5 -
Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803
Space group: P -1
Cell volume: 5285.6
Cell parameters: 10.312; 20.687; 26.395; 74.272; 81.268; 78.693;  

COD ID: 1565916
CIF file Formula: - C50 H52 F12 N6 O7 P2 -
Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803
Space group: P -1
Cell volume: 3260
Cell parameters: 9.22; 19.51; 20.82; 62.99; 86.96; 78.01;  

COD ID: 1565917
CIF file Formula: - C102 H102 Cl2 N38 O25 -
Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803
Space group: P -1
Cell volume: 7366.6
Cell parameters: 14.5032; 23.2785; 23.8851; 107.441; 93.266; 104.627;  

COD ID: 1565922
CIF file Formula: - C49 H37 B Cl2 O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/n 1
Cell volume: 3678.72
Cell parameters: 9.0213; 12.4023; 32.9897; 90; 94.685; 90;  

COD ID: 1565923
CIF file Formula: - C63 H53 B Cl2 O2 Si2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P -1
Cell volume: 2448.02
Cell parameters: 9.1151; 12.6682; 21.4094; 89.252; 84.01; 84.665;  

COD ID: 1565924
CIF file Formula: - C54 H37 B O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/c 1
Cell volume: 3751
Cell parameters: 18.5697; 12.0685; 16.8103; 90; 95.339; 90;  

COD ID: 1565925
CIF file Formula: - C50 H35 B O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/c 1
Cell volume: 6808.4
Cell parameters: 12.1456; 15.8222; 35.8589; 90; 98.879; 90;  

COD ID: 1565926
CIF file Formula: - C50 H59 Ni O9 P2 -
Comments: Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science 13(4) (2022) 1095-1100
Space group: P 1 21/c 1
Cell volume: 4750.6
Cell parameters: 12.239; 20.228; 19.483; 90; 99.971; 90;  

COD ID: 1565927
CIF file Formula: - C45 H64 Ni O P2 -
Comments: Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science 13(4) (2022) 1095-1100
Space group: P 1 21 1
Cell volume: 2032
Cell parameters: 9.0475; 18.2763; 12.7484; 90; 105.437; 90;  

COD ID: 1565972
CIF file Formula: - C20 H13 B Br N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P c a 21
Cell volume: 1518.15
Cell parameters: 22.958; 9.4271; 7.0146; 90; 90; 90;  

COD ID: 1565973
CIF file Formula: - C33 H26 B N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P -1
Cell volume: 1210.42
Cell parameters: 6.6409; 12.0504; 15.9138; 78.061; 78.902; 79.901;  

COD ID: 1565974
CIF file Formula: - C34 H30 B N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P 1 21/c 1
Cell volume: 2553
Cell parameters: 12.0461; 17.1985; 13.07; 90; 109.463; 90;  

COD ID: 1565978
CIF file Formula: - C214 H136 Cl4 O4 -
Comments: Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science 13(8) (2022) 2280-2285
Space group: P 1 2/c 1
Cell volume: 7713.3
Cell parameters: 16.922; 17.1293; 27.104; 90; 100.952; 90;  

COD ID: 1565979
CIF file Formula: - C148 H128 Cl14 O4 -
Comments: Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science 13(8) (2022) 2280-2285
Space group: P -1
Cell volume: 3805.1
Cell parameters: 14.1531; 17.009; 17.275; 93.079; 100.115; 110.482;  

COD ID: 1565980
CIF file Formula: - C108 H62 Ca4 F8 O19 -
Comments: Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation Chemical Science 13(5) (2022) 1375-1381
Space group: P -1
Cell volume: 6602.7
Cell parameters: 10.0419; 15.6393; 42.1081; 92.477; 91.364; 91.427;  

COD ID: 1565992
CIF file Formula: - C80 H199 K4 O99.5 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 42 21 2
Cell volume: 13329.4
Cell parameters: 23.4286; 23.4286; 24.2838; 90; 90; 90;  

COD ID: 1565993
CIF file Formula: - C81 H195 K4 O96.5 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 42 21 2
Cell volume: 13516
Cell parameters: 23.5333; 23.5333; 24.406; 90; 90; 90;  

COD ID: 1565994
CIF file Formula: - C168 H443 K8 O213.5 P4 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 1 21 1
Cell volume: 14335
Cell parameters: 22.944; 13.9699; 44.772; 90; 92.681; 90;  

COD ID: 1565995
CIF file Formula: - C82 H201.75 K4 O98.88 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 43 21 2
Cell volume: 26540
Cell parameters: 23.3244; 23.3244; 48.784; 90; 90; 90;  

COD ID: 1566046
CIF file Formula: - C16 H19 N O3 S -
Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511
Space group: P 1
Cell volume: 766.39
Cell parameters: 7.6588; 7.9714; 12.8907; 99.211; 90.731; 99.142;  

COD ID: 1566047
CIF file Formula: - C14 H20 O3 S -
Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511
Space group: P 1 21/n 1
Cell volume: 1402.54
Cell parameters: 12.2921; 7.393; 15.8524; 90; 103.199; 90;  

COD ID: 1566048
CIF file Formula: - C19 H20 O3 S -
Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511
Space group: P 1 21/n 1
Cell volume: 3318.3
Cell parameters: 23.8127; 5.6108; 24.8367; 90; 90.39; 90;  

COD ID: 1566049
CIF file Formula: - C20 H27 N O5 -
Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511
Space group: P 1 21/c 1
Cell volume: 3797.8
Cell parameters: 11.6377; 19.035; 18.0198; 90; 107.936; 90;  

COD ID: 1566079
CIF file Formula: - C54.5 H65 Cl5 N12 O8 Pd4 -
Comments: Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism Chemical Science 13(5) (2022) 1298-1306
Space group: C 1 2/c 1
Cell volume: 12303
Cell parameters: 39.352; 14.1869; 22.175; 90; 96.411; 90;  

COD ID: 1566151
CIF file Formula: - C29 H49 B Br N3 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P n a 21
Cell volume: 3002.3
Cell parameters: 16.6843; 10.1022; 17.8126; 90; 90; 90;  

COD ID: 1566152
CIF file Formula: - C29 H49 B Cl N3 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P n a 21
Cell volume: 2978.6
Cell parameters: 16.7035; 10.08; 17.6907; 90; 90; 90;  

COD ID: 1566153
CIF file Formula: - C29 H49 Al B Br3 N6 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P b c a
Cell volume: 14296
Cell parameters: 18.3035; 18.6688; 41.8373; 90; 90; 90;  

COD ID: 1566154
CIF file Formula: - C58 H98 Al2 B2 Br8 N6 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P -1
Cell volume: 3642.84
Cell parameters: 9.5926; 18.3489; 22.4133; 109.017; 98.006; 96.256;  

COD ID: 1566155
CIF file Formula: - C35 H57 Al B Br4 N3 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P -1
Cell volume: 4175.2
Cell parameters: 9.7709; 20.3965; 21.6332; 91.982; 100.812; 98.869;  

COD ID: 1566156
CIF file Formula: - C41 H61 Al B Br4 N3 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P -1
Cell volume: 2298.2
Cell parameters: 10.2658; 15.817; 15.9702; 65.411; 78.295; 80.201;  

COD ID: 1566157
CIF file Formula: - C33 H59 Al B Br4 N5 Si -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P -1
Cell volume: 2100.41
Cell parameters: 11.9613; 13.4134; 15.2453; 109.98; 104.192; 102.755;  

COD ID: 1566158
CIF file Formula: - C31 H52 Al B Br4 N4 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: I 1 2/a 1
Cell volume: 7762.9
Cell parameters: 11.781; 15.9628; 41.3531; 90; 93.4263; 90;  

COD ID: 1566159
CIF file Formula: - C41 H65 Al B Br4 Cl3 N4 O -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P 1 21/n 1
Cell volume: 5156.68
Cell parameters: 12.64878; 21.8402; 19.4954; 90; 106.767; 90;  

COD ID: 1566160
CIF file Formula: - C54 H77 Al B Br4 N5 -
Comments: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science 13(8) (2022) 2303-2309
Space group: P -1
Cell volume: 2890.8
Cell parameters: 14.3058; 14.4769; 14.7822; 82.612; 72.27; 89.201;  

COD ID: 1566188
CIF file Formula: - C8 H7 N O2 -
Comments: Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer Chemical Science 13(8) (2022) 2331-2338
Space group: P 21 21 21
Cell volume: 673.9
Cell parameters: 5.862; 7.712; 14.907; 90; 90; 90;  

COD ID: 1566247
CIF file Formula: - C15 H17 N3 O5 S -
Comments: Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid Chemical Science 13(8) (2022) 2378-2384
Space group: P 1 21 1
Cell volume: 1568.7
Cell parameters: 6.5937; 22.424; 10.7128; 90; 97.951; 90;  

COD ID: 1566266
CIF file Formula: - C25 H23 N3 O7 S -
Comments: Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science 13(8) (2022) 2317-2323
Space group: P 1 21 1
Cell volume: 1234.78
Cell parameters: 7.5832; 15.8833; 10.5856; 90; 104.429; 90;  

COD ID: 1566267
CIF file Formula: - C25 H21 N3 O7 S -
Comments: Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science 13(8) (2022) 2317-2323
Space group: P -1
Cell volume: 1231.76
Cell parameters: 7.2994; 8.0887; 21.2887; 91.614; 94.807; 100.145;  

COD ID: 1566268
CIF file Formula: - C25 H24 N2 O5 S -
Comments: Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect Chemical Science 13(8) (2022) 2317-2323
Space group: P 1 21/c 1
Cell volume: 4600.86
Cell parameters: 14.60983; 31.1413; 10.11618; 90; 91.553; 90;  

COD ID: 1566274
CIF file Formula: - C24 H18 Fe O2 -
Comments: Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science 13(10) (2022) 2877-2883
Space group: F d d 2
Cell volume: 3509.67
Cell parameters: 11.3424; 25.8718; 11.9601; 90; 90; 90;  

COD ID: 1566275
CIF file Formula: - C69 H75 Cl9 Fe3 N6 O0.39 -
Comments: Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science 13(10) (2022) 2877-2883
Space group: P -1
Cell volume: 3675.33
Cell parameters: 13.1378; 16.3059; 19.0267; 97.399; 93.732; 113.532;  

COD ID: 1566276
CIF file Formula: - C113 H114 Cl18 Fe3 N6 -
Comments: Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science 13(10) (2022) 2877-2883
Space group: P -1
Cell volume: 5519.49
Cell parameters: 16.0318; 17.0394; 21.0388; 102.395; 99.882; 91.283;  

COD ID: 1566277
CIF file Formula: - C75 H58 Fe3 N8 O0.5 -
Comments: Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M. Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state. Chemical science 13(10) (2022) 2877-2883
Space group: P -1
Cell volume: 3129.76
Cell parameters: 10.8575; 16.0366; 19.8722; 107.932; 90.985; 106.814;  

COD ID: 1566278
CIF file Formula: - C187 H120 F9 N62 Nd O57.5 S3 Zn16 -
Comments: Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science 13(10) (2022) 2919-2931
Space group: P 4/n c c :2
Cell volume: 24453.9
Cell parameters: 29.7978; 29.7978; 27.541; 90; 90; 90;  

COD ID: 1566279
CIF file Formula: - C187 H124.5 F9 N56 O47 S3 Yb Zn16 -
Comments: Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science 13(10) (2022) 2919-2931
Space group: P 4/n c c :2
Cell volume: 24360.8
Cell parameters: 30.0778; 30.0778; 26.9277; 90; 90; 90;  

COD ID: 1566308
CIF file Formula: - C37 H32 B P S -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: C 1 c 1
Cell volume: 2891
Cell parameters: 20.883; 8.704; 19.093; 90; 123.59; 90;  

COD ID: 1566309
CIF file Formula: - C21 H16 B N S -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P 1 21/c 1
Cell volume: 1676.7
Cell parameters: 8.8; 10.843; 17.829; 90; 99.74; 90;  

COD ID: 1566310
CIF file Formula: - C44.25 H33.51 B2 N3 S2 -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P -1
Cell volume: 1760.3
Cell parameters: 10.278; 12.065; 16.702; 92.946; 107.906; 114.158;  

COD ID: 1566311
CIF file Formula: - C41 H37 B2 N3 S2 Si -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P -1
Cell volume: 1831.5
Cell parameters: 9.9577; 12.2845; 16.579; 100.823; 90.407; 112.635;  

COD ID: 1566312
CIF file Formula: - C36 H30 B2 S2 -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: C 1 2/c 1
Cell volume: 2876
Cell parameters: 14.644; 11.056; 17.829; 90; 94.9; 90;  

COD ID: 1566313
CIF file Formula: - C32 H22 B2 S2 -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P 1 21 1
Cell volume: 2490.16
Cell parameters: 11.4201; 17.9796; 12.1277; 90; 90.12; 90;  

COD ID: 1566314
CIF file Formula: - C19 H17 B S -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P 1 21/c 1
Cell volume: 3119
Cell parameters: 13.289; 30.28; 7.763; 90; 93.3; 90;  

COD ID: 1566315
CIF file Formula: - C38 H26 B2 N4 O2 S2 -
Comments: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger Diboramacrocycles: reversible borole dimerisation-dissociation systems. Chemical science 13(10) (2022) 2932-2938
Space group: P 1 21/n 1
Cell volume: 3138.2
Cell parameters: 13.299; 18.859; 13.574; 90; 112.808; 90;  

COD ID: 1566331
CIF file Formula: - C24 H29 N O6 -
Comments: You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules Chemical Science 13(8) (2022) 2310-2316
Space group: P 1 21 1
Cell volume: 1126.77
Cell parameters: 8.4222; 8.6086; 15.573; 90; 93.674; 90;  

COD ID: 1566332
CIF file Formula: - C68 H146 Cr Mo6 N3 O32 -
Comments: Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science 13(10) (2022) 2891-2899
Space group: P 1 21/c 1
Cell volume: 9504.6
Cell parameters: 27.8416; 13.6571; 25.0139; 90; 92.128; 90;  

COD ID: 1566333
CIF file Formula: - C26 H55 N O13.5 V3 -
Comments: Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids. Chemical science 13(10) (2022) 2891-2899
Space group: P 1 21/c 1
Cell volume: 3506.8
Cell parameters: 13.052; 13.4949; 20.5929; 90; 104.803; 90;  

COD ID: 1566334
CIF file Formula: - C34.67 H59 B N2 Ni P2 -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: P 1 21/c 1
Cell volume: 10377.6
Cell parameters: 23.1838; 26.0619; 17.536; 90; 101.639; 90;  

COD ID: 1566335
CIF file Formula: - C30 H50 P2 Pd Si -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: P -1
Cell volume: 1592.59
Cell parameters: 9.5911; 9.8051; 19.1276; 90.444; 94.813; 117.164;  

COD ID: 1566336
CIF file Formula: - C50 H94 B2 N6 Ni2 P4 -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: P -1
Cell volume: 1560
Cell parameters: 10.5516; 11.9228; 13.7755; 103.985; 111.062; 90.654;  

COD ID: 1566337
CIF file Formula: - C26 H47 B N2 O2 P2 Pd -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: P 1 21/c 1
Cell volume: 2927.72
Cell parameters: 12.5308; 15.0351; 15.989; 90; 103.614; 90;  

COD ID: 1566338
CIF file Formula: - C32 H52 B Cl N2 Ni P2 -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: R -3 c :H
Cell volume: 15299.3
Cell parameters: 26.0265; 26.0265; 26.0801; 90; 90; 120;  

COD ID: 1566339
CIF file Formula: - C25 H47 B N2 P2 Pd -
Comments: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds Chemical Science 13(8) (2022) 2391-2404
Space group: P b c a
Cell volume: 5530.12
Cell parameters: 11.9139; 14.4308; 32.1655; 90; 90; 90;  

COD ID: 1566346
CIF file Formula: - C52 H77 B2 Na O6 -
Comments: Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science 13(10) (2022) 3009-3013
Space group: P 1 21/c 1
Cell volume: 2505
Cell parameters: 12.5628; 13.3264; 15.5838; 90; 106.231; 90;  

COD ID: 1566347
CIF file Formula: - C55 H65 B2 Cu N2 -
Comments: Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science 13(10) (2022) 3009-3013
Space group: C 1 2/c 1
Cell volume: 4556.9
Cell parameters: 13.312; 19.989; 17.2387; 90; 96.574; 90;  

COD ID: 1566348
CIF file Formula: - C55 H65 Ag B2 N2 -
Comments: Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science 13(10) (2022) 3009-3013
Space group: C 1 2/c 1
Cell volume: 4641
Cell parameters: 13.3073; 20.5224; 17.1012; 90; 96.418; 90;  

COD ID: 1566349
CIF file Formula: - C55 H65 Au B2 N2 -
Comments: Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals. Chemical science 13(10) (2022) 3009-3013
Space group: P b c a
Cell volume: 9694
Cell parameters: 21.161; 17.679; 25.912; 90; 90; 90;  

COD ID: 1566369
CIF file Formula: - C19 H24 O3 -
Comments: Wang, Jianhua; Li, Xiaoxun Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis. Chemical science 13(10) (2022) 3020-3026
Space group: P 21 21 21
Cell volume: 1688.36
Cell parameters: 9.16551; 10.4822; 17.5734; 90; 90; 90;  

COD ID: 1566406
CIF file Formula: - C10 H11 Cl F N O2 -
Comments: Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science 13(10) (2022) 3027-3034
Space group: P 21 21 21
Cell volume: 1023.38
Cell parameters: 5.1224; 8.268; 24.1637; 90; 90; 90;  

COD ID: 1566407
CIF file Formula: - C22 H18 Cl F7 N4 O2 S -
Comments: Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide. Chemical science 13(10) (2022) 3027-3034
Space group: P 1 21/n 1
Cell volume: 9351.7
Cell parameters: 9.4276; 19.5575; 50.822; 90; 93.634; 90;  

COD ID: 1566739
CIF file Formula: - C17 H15 N O2 -
Comments: Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M. Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines Chemical Science 13(11) (2022) 3227-3232
Space group: P 21 21 21
Cell volume: 1350.1
Cell parameters: 6.562; 14.232; 14.4563; 90; 90; 90;  

COD ID: 1566851
CIF file Formula: - C14 H17 N2 O P -
Comments: Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions. Chemical science 13(22) (2022) 6519-6524
Space group: P 21 21 21
Cell volume: 1374.5
Cell parameters: 7.2488; 10.7508; 17.638; 90; 90; 90;  

COD ID: 1566905
CIF file Formula: - C64 H50 N30 O15 Zn6 -
Comments: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science 13(17) (2022) 4813-4820
Space group: P 1 2/c 1
Cell volume: 6781.3
Cell parameters: 20.5713; 15.332; 21.6572; 90; 96.891; 90;  

COD ID: 1566906
CIF file Formula: - C66 H50 N30 O15 Zn6 -
Comments: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science 13(17) (2022) 4813-4820
Space group: P 1 2/c 1
Cell volume: 6862.9
Cell parameters: 20.7927; 15.218; 21.7299; 90; 93.52; 90;  

COD ID: 1566907
CIF file Formula: - C67 H50 N30 O15 Zn6 -
Comments: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science 13(17) (2022) 4813-4820
Space group: P 1 2/c 1
Cell volume: 6846.93
Cell parameters: 20.6916; 15.2813; 21.6745; 90; 92.481; 90;  

COD ID: 1566908
CIF file Formula: - C66 H50 N30 O15 Zn6 -
Comments: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science 13(17) (2022) 4813-4820
Space group: P 1 2/c 1
Cell volume: 6741.1
Cell parameters: 20.5389; 15.2128; 21.6422; 90; 94.526; 90;  

COD ID: 1566909
CIF file Formula: - C66 H50 N30 O15 Zn6 -
Comments: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework Chemical Science 13(17) (2022) 4813-4820
Space group: P 1 2/c 1
Cell volume: 6845.4
Cell parameters: 20.7798; 15.2345; 21.6564; 90; 93.144; 90;  

COD ID: 1566932
CIF file Formula: - C48 H36 B Cu F24 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P b c a
Cell volume: 9380.8
Cell parameters: 18.0783; 19.0664; 27.2154; 90; 90; 90;  

COD ID: 1566933
CIF file Formula: - C71 H75 B Cu F24 N4 P3 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P 1 21/n 1
Cell volume: 7494.1
Cell parameters: 14.9684; 25.1887; 19.9836; 90; 95.937; 90;  

COD ID: 1566934
CIF file Formula: - C41 H65 Al Cu N4 O0.5 P3 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P -1
Cell volume: 2106
Cell parameters: 11.2148; 14.0921; 14.3396; 70.906; 82.68; 80.584;  

COD ID: 1566935
CIF file Formula: - C42.5 H64 Cu Ga N4 P3 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P -1
Cell volume: 2121.9
Cell parameters: 11.344; 14.194; 14.285; 70.274; 79.551; 82.067;  

COD ID: 1566936
CIF file Formula: - C78 H120 B12 Cl12 Cu2 Ga2 N8 P6 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P -3 c 1
Cell volume: 5130
Cell parameters: 14.9147; 14.9147; 26.629; 90; 90; 120;  

COD ID: 1566937
CIF file Formula: - C78 H120 Al2 B12 Cl12 Cu2 N8 P6 -
Comments: Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. One-electron bonds in copper-aluminum and copper-gallium complexes. Chemical science 13(22) (2022) 6525-6531
Space group: P -3 c 1
Cell volume: 5120.5
Cell parameters: 14.9086; 14.9086; 26.6016; 90; 90; 120;  

COD ID: 1566968
CIF file Formula: - C42 H33 Cu2 F10 N7 O5 S2 -
Comments: Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science 13(22) (2022) 6619-6625
Space group: P -1
Cell volume: 2171.18
Cell parameters: 12.9678; 14.3694; 14.5813; 63.797; 69.859; 65.255;  

COD ID: 1566969
CIF file Formula: - C38 H24 B Cu2 F8 N7 O6 S2 -
Comments: Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science 13(22) (2022) 6619-6625
Space group: P 1 21/n 1
Cell volume: 4424.05
Cell parameters: 13.3106; 22.6847; 15.3728; 90; 107.618; 90;  

COD ID: 1566970
CIF file Formula: - C78 H69 B2 Cu4 F16 N14 O12.5 S4 -
Comments: Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand. Chemical science 13(22) (2022) 6619-6625
Space group: P 1 21/n 1
Cell volume: 8565.14
Cell parameters: 12.4859; 32.2974; 21.2406; 90; 90.543; 90;  

COD ID: 1566976
CIF file Formula: - C101 H175 As8 K3 N10 Nb O18 Zn4 -
Comments: Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science 13(22) (2022) 6744-6748
Space group: P 1 21/n 1
Cell volume: 12330.9
Cell parameters: 16.9909; 33.0617; 22.675; 90; 104.519; 90;  

COD ID: 1566977
CIF file Formula: - C92 H160 As8 K3 N8 O18 Ta Zn4 -
Comments: Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors. Chemical science 13(22) (2022) 6744-6748
Space group: P 1 21/n 1
Cell volume: 12240.8
Cell parameters: 17.0926; 32.8161; 22.5199; 90; 104.29; 90;  

COD ID: 1566978
CIF file Formula: - C71 H92 Cr Mg2 N4 O6 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P n a 21
Cell volume: 6924.7
Cell parameters: 35.2188; 15.3914; 12.77462; 90; 90; 90;  

COD ID: 1566979
CIF file Formula: - C71 H92 Mg2 N4 O6 W -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P n a 21
Cell volume: 7006.8
Cell parameters: 35.3464; 15.4039; 12.869; 90; 90; 90;  

COD ID: 1566980
CIF file Formula: - C67 H91 Mg2 Mn N4 O3 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/c 1
Cell volume: 7022.3
Cell parameters: 15.2588; 12.9668; 35.832; 90; 97.903; 90;  

COD ID: 1566981
CIF file Formula: - C79 H120 Mg2 N4 O2 Rh -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/n 1
Cell volume: 7737.2
Cell parameters: 14.0176; 13.9077; 40.2691; 90; 99.749; 90;  

COD ID: 1566982
CIF file Formula: - C104 H154 Cr Mg3 N6 O5 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/c 1
Cell volume: 10383.6
Cell parameters: 19.433; 17.40489; 30.8931; 90; 96.4115; 90;  

COD ID: 1566983
CIF file Formula: - C79 H120 Ir Mg2 N4 O2 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/n 1
Cell volume: 7728.7
Cell parameters: 14.0273; 13.9062; 40.2048; 90; 99.779; 90;  

COD ID: 1566984
CIF file Formula: - C67 H90 Cr Mg2 N4 O3 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/c 1
Cell volume: 7042.5
Cell parameters: 15.3628; 12.9497; 35.885; 90; 99.436; 90;  

COD ID: 1566985
CIF file Formula: - C77 H100 Fe Mg2 N4 O5 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P -1
Cell volume: 3642.1
Cell parameters: 13.3957; 13.4353; 22.6744; 99.136; 97.078; 112.627;  

COD ID: 1566986
CIF file Formula: - C84 H115 Co Mg2 N4 O2 -
Comments: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R. Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation. Chemical science 13(22) (2022) 6592-6598
Space group: P 1 21/c 1
Cell volume: 7919.7
Cell parameters: 13.9878; 13.5935; 41.687; 90; 92.375; 90;  

COD ID: 1566996
CIF file Formula: - C15 H15 N O S -
Comments: Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science 13(22) (2022) 6567-6572
Space group: P 1 21/n 1
Cell volume: 1281.6
Cell parameters: 15.7788; 5.6659; 16.0675; 90; 116.848; 90;  

COD ID: 1566997
CIF file Formula: - C23 H26 N2 O S -
Comments: Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science 13(22) (2022) 6567-6572
Space group: P 1 n 1
Cell volume: 2064.1
Cell parameters: 7.7413; 10.5757; 25.507; 90; 98.727; 90;  

COD ID: 1566998
CIF file Formula: - C47 H28 B Cl F24 -
Comments: Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science 13(22) (2022) 6532-6540
Space group: P -1
Cell volume: 2259.1
Cell parameters: 12.4688; 12.8052; 15.4127; 79.663; 83.931; 69.083;  

COD ID: 1566999
CIF file Formula: - C47 H28 B Br F24 -
Comments: Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science 13(22) (2022) 6532-6540
Space group: P -1
Cell volume: 2269.6
Cell parameters: 12.4957; 12.7882; 15.4855; 79.453; 83.941; 69.043;  

COD ID: 1567000
CIF file Formula: - C47 H28 B F24 I -
Comments: Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R. Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity. Chemical science 13(22) (2022) 6532-6540
Space group: P -1
Cell volume: 2319.4
Cell parameters: 12.5291; 12.8808; 15.7078; 79.342; 83.823; 68.734;  

COD ID: 1567002
CIF file Formula: - C13 H18 B Cu F4 N4 -
Comments: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science 13(24) (2022) 7190-7203
Space group: P -1
Cell volume: 801.49
Cell parameters: 7.9267; 10.4752; 10.6827; 107.079; 100.319; 102.013;  

COD ID: 1567003
CIF file Formula: - C31 H22 B Cu F18 N6 -
Comments: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science 13(24) (2022) 7190-7203
Space group: P 1 21/m 1
Cell volume: 1719.44
Cell parameters: 11.064; 13.6074; 11.4278; 90; 91.989; 90;  

COD ID: 1567004
CIF file Formula: - C22 H16 Ag B F6 N4 -
Comments: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science 13(24) (2022) 7190-7203
Space group: P 1 21/n 1
Cell volume: 2270.06
Cell parameters: 14.6979; 10.2199; 15.7068; 90; 105.812; 90;  

COD ID: 1567005
CIF file Formula: - C22 H16 B Cu F6 N4 -
Comments: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science 13(24) (2022) 7190-7203
Space group: P -1
Cell volume: 1106.56
Cell parameters: 10.1272; 10.3873; 12.0427; 75.542; 65.639; 76.936;  

COD ID: 1567006
CIF file Formula: - C13 H18 Ag F6 N4 Sb -
Comments: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika Isolable acetylene complexes of copper and silver Chemical Science 13(24) (2022) 7190-7203
Space group: P 1 21/n 1
Cell volume: 1845.13
Cell parameters: 11.724; 12.2179; 12.8999; 90; 93.091; 90;  

COD ID: 1567012
CIF file Formula: - C72 H108 Br2 I2 N36 O36 -
Comments: Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science 13(24) (2022) 7247-7255
Space group: P 1 21/n 1
Cell volume: 4787.8
Cell parameters: 14.3431; 16.633; 20.226; 90; 97.151; 90;  

COD ID: 1567013
CIF file Formula: - C24 H40 Br2 Cl2 N4 O10 -
Comments: Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions Chemical Science 13(24) (2022) 7247-7255
Space group: P -1
Cell volume: 818.2
Cell parameters: 6.6366; 6.8219; 19.554; 82.484; 87.519; 68.781;  

COD ID: 1567038
CIF file Formula: - C29 H22 Cl N O -
Comments: Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science 13(24) (2022) 7347-7354
Space group: P 1 21/n 1
Cell volume: 2224.95
Cell parameters: 16.7731; 7.1332; 19.2367; 90; 104.828; 90;  

COD ID: 1567039
CIF file Formula: - C50 H58 Cl2 N2 O2 Rh2 -
Comments: Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group Chemical Science 13(24) (2022) 7347-7354
Space group: P 1 21/c 1
Cell volume: 4513.68
Cell parameters: 18.7457; 7.7279; 31.217; 90; 93.528; 90;  

COD ID: 1567040
CIF file Formula: - C37 H38 N2 O4 S -
Comments: Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers Chemical Science 13(24) (2022) 7283-7288
Space group: P 1 21/c 1
Cell volume: 3169
Cell parameters: 9.018; 20.697; 17.164; 90; 98.38; 90;  

COD ID: 1567048
CIF file Formula: - C53 H37 N11 O4 -
Comments: Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres. Chemical science 13(26) (2022) 7805-7813
Space group: P 1
Cell volume: 1103.79
Cell parameters: 10.1334; 10.2002; 11.4807; 93.3946; 99.9779; 107.948;  

COD ID: 1567049
CIF file Formula: - C75.5 H85.5 Cl10.5 N12 O12 -
Comments: Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M. Photostable polymorphic organic cages for targeted live cell imaging Chemical Science 13(24) (2022) 7341-7346
Space group: P 1
Cell volume: 2100.3
Cell parameters: 12.733; 13.433; 14.738; 63.059; 71.223; 73.702;  

COD ID: 1567072
CIF file Formula: - C18 H17 N5 O5 -
Comments: Zhang, Dequan; Wen, Jialin; Zhang, Xumu Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids Chemical Science 13(24) (2022) 7215-7223
Space group: P 1 21 1
Cell volume: 1782.4
Cell parameters: 7.1241; 34.022; 7.3539; 90; 90.288; 90;  

COD ID: 1567076
CIF file Formula: - C111 H127 N11 O4 -
Comments: Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science 13(24) (2022) 7276-7282
Space group: P -1
Cell volume: 5307.4
Cell parameters: 14.7293; 18.9653; 22.0241; 66.815; 72.348; 74.252;  

COD ID: 1567077
CIF file Formula: - C109 H121 B4 F8 N11 O5 -
Comments: Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science 13(24) (2022) 7276-7282
Space group: P 21 21 21
Cell volume: 11526.6
Cell parameters: 17.2251; 23.1997; 28.8441; 90; 90; 90;  

COD ID: 1567078
CIF file Formula: - C111 H129 B2 Cl4 F4 N11 O5 -
Comments: Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science 13(24) (2022) 7276-7282
Space group: P b c n
Cell volume: 21580.9
Cell parameters: 38.9356; 18.8132; 29.4619; 90; 90; 90;  

COD ID: 1567079
CIF file Formula: - C104 H104 B3 F6 N11 -
Comments: Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L. Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays Chemical Science 13(24) (2022) 7276-7282
Space group: P -1
Cell volume: 4975.7
Cell parameters: 12.9759; 17.3; 23.1532; 82.59; 81.602; 76.517;  

COD ID: 1567080
CIF file Formula: - C38 H60 B2 N4 O4 -
Comments: Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science 13(28) (2022) 8321-8333
Space group: P 1 21/n 1
Cell volume: 1853.43
Cell parameters: 8.465; 16.1068; 13.6527; 90; 95.327; 90;  

COD ID: 1567081
CIF file Formula: - C20 H36 B I N4 O2 -
Comments: Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions. Chemical science 13(28) (2022) 8321-8333
Space group: P 1 2/c 1
Cell volume: 2374.11
Cell parameters: 13.3858; 14.2988; 13.1709; 90; 109.65; 90;  

COD ID: 1567087
CIF file Formula: - C45 H60 Cl2 N2 O4 S2 -
Comments: Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies Chemical Science 13(24) (2022) 7310-7317
Space group: P -1
Cell volume: 2176.2
Cell parameters: 13.984; 14.07; 14.277; 61.576; 82.569; 62.486;  

COD ID: 1567088
CIF file Formula: - C13 H14 Cl I O2 -
Comments: Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N. Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine Chemical Science 13(24) (2022) 7318-7324
Space group: P 21 21 21
Cell volume: 1321.97
Cell parameters: 8.9639; 11.1228; 13.259; 90; 90; 90;  

COD ID: 1567091
CIF file Formula: - C57 H99 Fe K N5 O6 Si2 -
Comments: Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science 13(26) (2022) 7907-7913
Space group: P 1 21/c 1
Cell volume: 6771.1
Cell parameters: 11.9424; 24.7899; 22.9964; 90; 95.974; 90;  

COD ID: 1567092
CIF file Formula: - C39 H63 Fe N3 Si2 -
Comments: Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science 13(26) (2022) 7907-7913
Space group: P b c a
Cell volume: 8055.7
Cell parameters: 19.2646; 16.7587; 24.952; 90; 90; 90;  

COD ID: 1567093
CIF file Formula: - C48 H88 Fe K N4 O6 Si2 -
Comments: Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science 13(26) (2022) 7907-7913
Space group: P 1 21/n 1
Cell volume: 5456.3
Cell parameters: 18.281; 14.0555; 22.1239; 90; 106.298; 90;  

COD ID: 1567094
CIF file Formula: - C58 H99 Fe K N5 O6 S2 Si2 -
Comments: Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar Between imide, imidyl and nitrene - an imido iron complex in two oxidation states. Chemical science 13(26) (2022) 7907-7913
Space group: P 1 21/c 1
Cell volume: 8036.1
Cell parameters: 13.8538; 24.6616; 23.5229; 90; 90.755; 90;  

COD ID: 1567095
CIF file Formula: - C35 H24 N2 O9 S4 -
Comments: Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science 13(26) (2022) 7886-7891
Space group: P 1 21/c 1
Cell volume: 3451.02
Cell parameters: 12.807; 13.731; 20.965; 90; 110.6; 90;  

COD ID: 1567096
CIF file Formula: - C8 H7.33 Br2 O0.67 -
Comments: Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives. Chemical science 13(26) (2022) 7886-7891
Space group: P 1 21/m 1
Cell volume: 660.63
Cell parameters: 7.6142; 7.1461; 12.6645; 90; 106.526; 90;  

COD ID: 1567097
CIF file Formula: - C19 H13 N3 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: P -1
Cell volume: 735.34
Cell parameters: 6.1025; 8.5817; 14.6868; 86.201; 80.086; 76.138;  

COD ID: 1567098
CIF file Formula: - C21 H13 F3 N2 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: P 1 21/c 1
Cell volume: 1738.41
Cell parameters: 12.0851; 7.7428; 19.0267; 90; 102.465; 90;  

COD ID: 1567099
CIF file Formula: - C22 H19 N3 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: I 1 2/a 1
Cell volume: 3623.5
Cell parameters: 21.1606; 7.1694; 25.5604; 90; 110.862; 90;  

COD ID: 1567100
CIF file Formula: - C17 H13 Cl N2 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: C 1 c 1
Cell volume: 1438
Cell parameters: 5.7112; 23.177; 10.865; 90; 90.891; 90;  

COD ID: 1567101
CIF file Formula: - C27 H17 N3 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: P 1 21/n 1
Cell volume: 1944.18
Cell parameters: 11.3712; 9.205; 19.1767; 90; 104.402; 90;  

COD ID: 1567102
CIF file Formula: - C21 H16 N2 O -
Comments: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science 13(27) (2022) 8080-8087
Space group: P 21 21 21
Cell volume: 1632.3
Cell parameters: 7.4535; 11.5915; 18.893; 90; 90; 90;  

COD ID: 1567108
CIF file Formula: - C42 H36 Ag13 F18 N6 O18 S6 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: P -1
Cell volume: 4768.2
Cell parameters: 14.0332; 15.3545; 22.418; 82.805; 84.35; 88.156;  

COD ID: 1567109
CIF file Formula: - C14 H14 F6 N2 O6 S2 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: P -1
Cell volume: 478.12
Cell parameters: 6.8729; 8.3071; 8.8774; 77.25; 88.991; 75.454;  

COD ID: 1567110
CIF file Formula: - C51 H50 Ag F9 N16 O9 S3 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: P 1 21/c 1
Cell volume: 6567.72
Cell parameters: 13.6223; 29.4112; 17.5734; 90; 111.122; 90;  

COD ID: 1567111
CIF file Formula: - C62 H55 Ag5 F9 N17 O9 S3 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: C 1 2/c 1
Cell volume: 16443.4
Cell parameters: 38.1353; 21.9159; 25.6721; 90; 129.97; 90;  

COD ID: 1567112
CIF file Formula: - C59 H57 Ag5 F9 N17 O9 S3 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: P -1
Cell volume: 7643.2
Cell parameters: 14.8014; 22.3158; 24.83; 84.932; 76.949; 73.121;  

COD ID: 1567113
CIF file Formula: - C57 H53 Ag5 F9 N17 O9 S3 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: I 1 2/a 1
Cell volume: 15736.7
Cell parameters: 25.7535; 24.5293; 24.9163; 90; 91.174; 90;  

COD ID: 1567114
CIF file Formula: - C18 H22 F6 N2 O6 S2 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: P -1
Cell volume: 1792.99
Cell parameters: 9.0344; 12.927; 15.428; 85.714; 87.099; 87.475;  

COD ID: 1567115
CIF file Formula: - C72 H48 Ag13 F18 N6 O18 S6 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: F d d d :2
Cell volume: 28739
Cell parameters: 16.1557; 30.2077; 58.888; 90; 90; 90;  

COD ID: 1567133
CIF file Formula: - C17 H21 N O2 -
Comments: Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science 13(26) (2022) 7947-7954
Space group: P -1
Cell volume: 734.51
Cell parameters: 8.1149; 9.1915; 10.8628; 68.232; 78.44; 81.264;  

COD ID: 1567134
CIF file Formula: - C31 H32 Co N5 O4 Sn -
Comments: Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light. Chemical science 13(26) (2022) 7947-7954
Space group: P b c a
Cell volume: 6389.6
Cell parameters: 15.0187; 14.1539; 30.0583; 90; 90; 90;  

COD ID: 1567145
CIF file Formula: - C102 H148 Ag16 Cl F15 N4 O16 S9 -
Comments: Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization. Chemical science 13(28) (2022) 8355-8364
Space group: P -1
Cell volume: 7410.1
Cell parameters: 17.2901; 17.3047; 29.001; 94.002; 97.603; 119.287;  

COD ID: 1567146
CIF file Formula: - C23 H42 Cl Ir N4 O P2 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P 1 21/c 1
Cell volume: 2831.5
Cell parameters: 17.533; 8.1217; 21.3907; 90; 111.63; 90;  

COD ID: 1567147
CIF file Formula: - C23 H42 I Ir N4 O P2 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P 1 21/c 1
Cell volume: 2937.18
Cell parameters: 17.9499; 8.1504; 21.5003; 90; 110.968; 90;  

COD ID: 1567148
CIF file Formula: - C25 H44 Cl3 Ir N4 O P2 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P 1 21/n 1
Cell volume: 3143.9
Cell parameters: 11.9445; 10.1985; 25.8721; 90; 94.016; 90;  

COD ID: 1567149
CIF file Formula: - C48 H89 F2 Ir2 N9 O3 P4 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P -1
Cell volume: 2898.06
Cell parameters: 11.8995; 16.0723; 17.0807; 67.203; 75.219; 89.306;  

COD ID: 1567150
CIF file Formula: - C25 H48 F6 Ir N4 O P3 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P -1
Cell volume: 3347.95
Cell parameters: 13.2443; 16.1281; 16.2491; 77.427; 82.219; 84.357;  

COD ID: 1567151
CIF file Formula: - C23 H42 Br Ir N4 O P2 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P 1 21/c 1
Cell volume: 2864.81
Cell parameters: 17.7005; 8.1175; 21.384; 90; 111.189; 90;  

COD ID: 1567152
CIF file Formula: - C23 H42 F6 Ir N4 O P3 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P 1 21/c 1
Cell volume: 3033.18
Cell parameters: 12.0735; 10.6615; 23.5954; 90; 92.963; 90;  

COD ID: 1567153
CIF file Formula: - C26 H45.5 Ir N5.5 O P2 -
Comments: Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I. The underappreciated influence of ancillary halide on metal-ligand proton tautomerism. Chemical science 13(26) (2022) 7837-7845
Space group: P b c a
Cell volume: 19107.9
Cell parameters: 26.0183; 23.433; 31.3406; 90; 90; 90;  

COD ID: 1567156
CIF file Formula: - C30 H27 N O5 S -
Comments: Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science 13(29) (2022) 8576-8582
Space group: P 21 21 21
Cell volume: 2457.33
Cell parameters: 9.4559; 16.0249; 16.2168; 90; 90; 90;  

COD ID: 1567157
CIF file Formula: - C60 H50 N2 O8 S2 -
Comments: Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones Chemical Science 13(29) (2022) 8576-8582
Space group: P 21 21 21
Cell volume: 4918.62
Cell parameters: 9.6145; 18.9746; 26.9615; 90; 90; 90;  

COD ID: 1567161
CIF file Formula: - C29 H29 B2 Cl2 N2 P Ru S3 -
Comments: Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science 13(29) (2022) 8567-8575
Space group: P 1 21/n 1
Cell volume: 3186.2
Cell parameters: 9.9824; 23.4742; 13.6413; 90; 94.6068; 90;  

COD ID: 1567162
CIF file Formula: - C32 H45 B2 N2 P Ru S5 -
Comments: Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science 13(29) (2022) 8567-8575
Space group: P 1 21/c 1
Cell volume: 4634
Cell parameters: 17.2497; 15.0068; 19.7663; 90; 115.089; 90;  

COD ID: 1567163
CIF file Formula: - C33 H36 B2 Cl2 N2 Ru S4 -
Comments: Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science 13(29) (2022) 8567-8575
Space group: P -1
Cell volume: 877.7
Cell parameters: 8.1421; 9.038; 11.991; 91.746; 95.358; 91.618;  

COD ID: 1567164
CIF file Formula: - C40 H47 Cl2 N3 P Ru S6 -
Comments: Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes Chemical Science 13(29) (2022) 8567-8575
Space group: C 1 2/c 1
Cell volume: 8533.7
Cell parameters: 43.162; 11.6075; 17.077; 90; 94.107; 90;  

COD ID: 1567165
CIF file Formula: - C16 H14 O2 -
Comments: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science 13(28) (2022) 8429-8435
Space group: P 21 21 21
Cell volume: 1211.65
Cell parameters: 5.247; 8.2089; 28.1307; 90; 90; 90;  

COD ID: 1567166
CIF file Formula: - C12 H12 O3 -
Comments: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science 13(28) (2022) 8429-8435
Space group: P 21 21 21
Cell volume: 987.92
Cell parameters: 8.796; 10.4133; 10.7857; 90; 90; 90;  

COD ID: 1567167
CIF file Formula: - C16 H14 O2 -
Comments: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science 13(28) (2022) 8429-8435
Space group: P 21 21 21
Cell volume: 1249.72
Cell parameters: 5.9107; 13.8035; 15.3174; 90; 90; 90;  

COD ID: 1567168
CIF file Formula: - C28 H24 O4 -
Comments: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science 13(28) (2022) 8429-8435
Space group: P 21 21 21
Cell volume: 2175.77
Cell parameters: 8.6793; 22.7043; 11.0413; 90; 90; 90;  

COD ID: 1567169
CIF file Formula: - C14 H17 Br O5 -
Comments: Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6. Chemical science 13(28) (2022) 8429-8435
Space group: P -1
Cell volume: 748.16
Cell parameters: 7.8803; 9.7157; 10.6212; 94.241; 94.434; 111.794;  

COD ID: 1567184
CIF file Formula: - C22 H56 Al O P Si4 -
Comments: Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science 13(27) (2022) 8088-8094
Space group: P -1
Cell volume: 1615.45
Cell parameters: 9.05033; 11.72687; 16.30904; 94.4336; 96.4467; 108.884;  

COD ID: 1567185
CIF file Formula: - C23 H55 Al O3 P Si4 -
Comments: Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science 13(27) (2022) 8088-8094
Space group: P 1 21/n 1
Cell volume: 3471.9
Cell parameters: 11.738; 28.6426; 11.8207; 90; 119.12; 90;  

COD ID: 1567186
CIF file Formula: - C30 H78 Al2 O4 Si8 -
Comments: Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science 13(27) (2022) 8088-8094
Space group: P 1 21/n 1
Cell volume: 2399.68
Cell parameters: 14.912; 9.33098; 17.8266; 90; 104.662; 90;  

COD ID: 1567187
CIF file Formula: - C23 H58 Al O3 P Si4 -
Comments: Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W. Carbon dioxide reduction by an Al-O-P frustrated Lewis pair. Chemical science 13(27) (2022) 8088-8094
Space group: P -1
Cell volume: 3390.6
Cell parameters: 12.51484; 16.89311; 17.04953; 84.6973; 76.7333; 75.257;  

COD ID: 1567188
CIF file Formula: - C28 H25 N3 O3 -
Comments: Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science 13(27) (2022) 8131-8136
Space group: P 1 21/c 1
Cell volume: 2341.4
Cell parameters: 12.6477; 12.7165; 19.2801; 90; 130.968; 90;  

COD ID: 1567189
CIF file Formula: - C11 H10 N O P S -
Comments: Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science 13(27) (2022) 8131-8136
Space group: P 1 21 1
Cell volume: 1951.69
Cell parameters: 8.8091; 14.2922; 15.6275; 90; 97.274; 90;  

COD ID: 1567190
CIF file Formula: - C28 H26 N3 O3 -
Comments: Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science 13(27) (2022) 8131-8136
Space group: P 1 21 1
Cell volume: 1538.7
Cell parameters: 8.647; 20.509; 8.854; 90; 101.501; 90;  

COD ID: 1567191
CIF file Formula: - C29 H27 N3 O3 -
Comments: Wang, Yue; Li, Er-Qing; Duan, Zheng Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines. Chemical science 13(27) (2022) 8131-8136
Space group: P 21 21 21
Cell volume: 2503.49
Cell parameters: 9.75496; 13.6686; 18.7757; 90; 90; 90;  

COD ID: 1567192
CIF file Formula: - C144 H82 N12 O32 S6 Zr6 -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: F d -3 m :2
Cell volume: 60701.2
Cell parameters: 39.3006; 39.3006; 39.3006; 90; 90; 90;  

COD ID: 1567193
CIF file Formula: - C84 H44 N6 O16 S3 Zr3 -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: F d -3 m :2
Cell volume: 60417.2
Cell parameters: 39.2392; 39.2392; 39.2392; 90; 90; 90;  

COD ID: 1567194
CIF file Formula: - C14 H10 N6 S Zn -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: P 1 21/n 1
Cell volume: 1754.94
Cell parameters: 7.0203; 10.3506; 24.2607; 90; 95.442; 90;  

COD ID: 1567195
CIF file Formula: - C12 H6 N6 S Zn -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: I 41
Cell volume: 3411.4
Cell parameters: 16.549; 16.549; 12.4563; 90; 90; 90;  

COD ID: 1567196
CIF file Formula: - C112 H64 N16 O17 Se4 Zn4 -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: P -1
Cell volume: 2431.19
Cell parameters: 10.4136; 15.0054; 15.7481; 88.538; 87.931; 81.423;  

COD ID: 1567197
CIF file Formula: - C112 H64 N16 O17 S4 Zn4 -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: P -1
Cell volume: 2441.9
Cell parameters: 10.4363; 15.0079; 15.7667; 88.157; 88.133; 81.78;  

COD ID: 1567201
CIF file Formula: - C60 H144 Cs N3 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 4588.44
Cell parameters: 14.1418; 16.3515; 22.1403; 107.364; 92.5382; 108.194;  

COD ID: 1567202
CIF file Formula: - C67 H152 K3 N5 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P 1 21/n 1
Cell volume: 9753.2
Cell parameters: 17.5895; 26.3839; 21.325; 90; 99.763; 90;  

COD ID: 1567203
CIF file Formula: - C60 H144 Cs N3 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 4557
Cell parameters: 13.9128; 16.1167; 21.8294; 80.346; 83.8; 71.074;  

COD ID: 1567204
CIF file Formula: - C60 H144 Cs2 N3 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 4887.79
Cell parameters: 13.707; 13.7678; 29.7454; 94.2273; 97.0402; 117.487;  

COD ID: 1567205
CIF file Formula: - C72 H174 K2 N5 O14 Si10 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P 1 21/c 1
Cell volume: 10766.4
Cell parameters: 20.57855; 19.40862; 26.9671; 90; 91.6235; 90;  

COD ID: 1567206
CIF file Formula: - C49.2 H129 K N5 O8.3 Si10 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P 1 21/n 1
Cell volume: 8077.44
Cell parameters: 12.81649; 23.44652; 27.38157; 90; 100.985; 90;  

COD ID: 1567207
CIF file Formula: - C66 H162 K6 N6 O16 Si10 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P 1 21/n 1
Cell volume: 12055.9
Cell parameters: 15.102; 29.934; 27.0037; 90; 99.035; 90;  

COD ID: 1567208
CIF file Formula: - C84 H198 K2 N9 O20 Si10 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 3487.04
Cell parameters: 13.8976; 14.741; 18.5692; 106.635; 103.811; 95.243;  

COD ID: 1567209
CIF file Formula: - C60 H144 K N3 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 4540.8
Cell parameters: 14.1046; 16.153; 22.2432; 108.265; 92.266; 107.449;  

COD ID: 1567210
CIF file Formula: - C96 H234 K6 N10 O24 Si14 U4 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 4531.67
Cell parameters: 13.65686; 17.961; 20.0238; 93.8055; 91.6994; 112.135;  

COD ID: 1567211
CIF file Formula: - C36 H90 K N2 O8 Si6 U -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P -1
Cell volume: 5655
Cell parameters: 13.5839; 20.4057; 22.3874; 66.602; 83.686; 85.153;  

COD ID: 1567212
CIF file Formula: - C66 H158 K2 N3 O16 Si8 U2 -
Comments: Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella Nitrogen activation and cleavage by a multimetallic uranium complex. Chemical science 13(27) (2022) 8025-8035
Space group: P 1 21/c 1
Cell volume: 19983.3
Cell parameters: 14.10134; 30.68723; 46.2387; 90; 92.8994; 90;  

COD ID: 1567276
CIF file Formula: - C232 H122 F16 N20 O48 S5 Y12 -
Comments: Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science 13(32) (2022) 9321-9328
Space group: C m m m
Cell volume: 33382
Cell parameters: 40.568; 41.959; 19.6114; 90; 90; 90;  

COD ID: 1567277
CIF file Formula: - C47.48 H22.51 F4 N3 O12.97 S Y3 -
Comments: Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks Chemical Science 13(32) (2022) 9321-9328
Space group: C m m m
Cell volume: 15337
Cell parameters: 21.358; 35.038; 20.494; 90; 90; 90;  

COD ID: 1567283
CIF file Formula: - C15 H16 N2 O2 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P 1 21/m 1
Cell volume: 636.1
Cell parameters: 8.4884; 6.7183; 11.755; 90; 108.39; 90;  

COD ID: 1567284
CIF file Formula: - C30 H40 Cu F6 N8 P -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: I 1 2/a 1
Cell volume: 9752
Cell parameters: 22.442; 10.441; 41.64; 90; 91.84; 90;  

COD ID: 1567285
CIF file Formula: - C16 H23 N5 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P n a 21
Cell volume: 1582
Cell parameters: 15.194; 11.576; 8.9945; 90; 90; 90;  

COD ID: 1567286
CIF file Formula: - C32 H40 Cu F6 N8 O6 S2 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P -1
Cell volume: 1855.7
Cell parameters: 10.318; 12.507; 16.034; 98.43; 95.28; 113.19;  

COD ID: 1567287
CIF file Formula: - C31 H40 Cu F3 N8 O3 S -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: I 1 2/a 1
Cell volume: 10320
Cell parameters: 22.769; 10.613; 42.709; 90; 90.75; 90;  

COD ID: 1567288
CIF file Formula: - C18 H26 N4 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P -1
Cell volume: 841.9
Cell parameters: 6.8997; 10.446; 12.234; 103.63; 98.86; 93.79;  

COD ID: 1567289
CIF file Formula: - C36 H46 B2 Cu F8 N10 O4 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P 1 21/c 1
Cell volume: 4139.9
Cell parameters: 13.585; 25.27; 12.065; 90; 91.75; 90;  

COD ID: 1567290
CIF file Formula: - C41 H58 Cl2 Cu F6 N8 P -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P -1
Cell volume: 2261.4
Cell parameters: 13.117; 13.265; 15.609; 73.5; 76.04; 61.06;  

COD ID: 1567291
CIF file Formula: - C32 H40 Cu F6 N8 O4 P -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P 1 21/c 1
Cell volume: 3480.4
Cell parameters: 7.76; 13.9; 32.3; 90; 92.6; 90;  

COD ID: 1567292
CIF file Formula: - C15 H20 N4 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P -1
Cell volume: 1403.2
Cell parameters: 6.8391; 14.447; 15.756; 64.51; 89.05; 86.95;  

COD ID: 1567293
CIF file Formula: - C32 H46 B Cu F4 N10 -
Comments: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science 13(28) (2022) 8274-8288
Space group: P 1 21/c 1
Cell volume: 3529.7
Cell parameters: 11.779; 19.544; 15.389; 90; 94.9; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.