Crystallography Open Database

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Searching volume of publication is 142

COD ID: 1000500
CIF file	Formula: - La7 Mo7 O30 - Comments: Goutenoire, F; Retoux, R; Suard, E; Lacorre, P Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction Journal of Solid State Chemistry 142 (1999) 228-235 Space group: R -3 :H Cell volume: 1718.1 Cell parameters: 17.0051; 17.0051; 6.8607; 90; 90; 120;

COD ID: 1000501
CIF file	Formula: - La7 Mo7 O30 - Comments: Goutenoire, F; Retoux, R; Suard, E; Lacorre, P Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction Journal of Solid State Chemistry 142 (1999) 228-235 Space group: R -3 :H Cell volume: 1718.5 Cell parameters: 17.00639; 17.00639; 6.8613; 90; 90; 120;

COD ID: 1004033

CIF file

Formula: - C6 H18 N2 O12 P3 Zn2 -
Comments: Josien, L.; Simon-Masseron, A.; Fleith, S.; Gramlich, V.; Patarin, J. Hydrothermal synthesis and characterization of new phosphate-based materials prepared in the presence of 1,4-dimethylpiperazine Impact of Zeolites and other Porous Materials on the new Technologies at the Beginning of the New Millennium Proceedings of the 2nd International FEZA (Federation of the European Zeolite Associations) Conference 142 (2002) 415-422
Space group: P 1 21/n 1
Cell volume: 1551.8
Cell parameters: 8.641; 14.364; 12.581; 90; 96.39; 90;

COD ID: 1004134
CIF file	Formula: - Bi26.4 Mo9.6 O68.4 - Comments: Vannier, R-N; Abraham, F; Nowogrocki, G; Mairesse, G New structural and electrical data on Bi-Mo mixed oxides with a structure based on (B12 O14)(infinite) columns Journal of Solid State Chemistry 142 (1999) 294-304 Space group: P 1 2/c 1 Cell volume: 1648.3 Cell parameters: 11.7525; 5.8005; 24.8024; 90; 102.867; 90;

COD ID: 1004135

CIF file

Formula: - Bi0.775 La0.225 O1.5 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 387.1
Cell parameters: 4.0242; 4.0242; 27.59999; 90; 90; 120;

COD ID: 1004136

CIF file

Formula: - Bi0.775 O1.5 Pr0.225 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 380.7
Cell parameters: 3.9975; 3.9975; 27.50899; 90; 90; 120;

COD ID: 1004137

CIF file

Formula: - Bi0.775 Nd0.225 O1.5 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 378.9
Cell parameters: 3.9915; 3.9915; 27.463; 90; 90; 120;

COD ID: 1004138

CIF file

Formula: - Bi0.775 O1.5 Sm0.225 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 375.4
Cell parameters: 3.9783; 3.9783; 27.39099; 90; 90; 120;

COD ID: 1004139

CIF file

Formula: - Bi0.775 Eu0.225 O1.5 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 374
Cell parameters: 3.9736; 3.9736; 27.353; 90; 90; 120;

COD ID: 1004140

CIF file

Formula: - Bi0.775 Gd0.225 O1.5 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 373.6
Cell parameters: 3.9724; 3.9724; 27.33899; 90; 90; 120;

COD ID: 1004141

CIF file

Formula: - Bi0.775 O1.5 Tb0.225 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 372
Cell parameters: 3.9653; 3.9653; 27.31699; 90; 90; 120;

COD ID: 1004142

CIF file

Formula: - Bi0.775 Dy0.225 O1.5 -
Comments: Drache, M; Obbade, S; Wignacourt, J P; Conflant, P Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type Journal of Solid State Chemistry 142 (1999) 349-359
Space group: R -3 m :H
Cell volume: 371.6
Cell parameters: 3.9649; 3.9649; 27.29599; 90; 90; 120;

COD ID: 1004143
CIF file	Formula: - Bi O8 P Pb4 - Comments: Giraud, S; Wignacourt, J-P; Drache, M; Nowogrocki, G; Steinfink, H The stereochemical effect of 6s2 lone-pair electrons: the crystal structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4 Journal of Solid State Chemistry 142 (1999) 80-88 Space group: P -1 Cell volume: 463.6 Cell parameters: 6.215; 7.44; 10.498; 100.19; 103.73; 90.05;

COD ID: 1500044
CIF file	Formula: - Fe6 La24 Li22 O56 - Comments: Abbattista, F; Mazza, D; Vallino, M; Gazzano, M A new structure in the La-Li-Fe-O system Journal of the Less-Common Metals 142 (1988) 203-211 Space group: P 4/m b m Cell volume: 1314.2 Cell parameters: 13.24; 13.24; 7.497; 90; 90; 90;

COD ID: 1509177
CIF file	Formula: - Ag Cd2 Ce - Comments: Berger, G.; Weiss, A. Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm) Journal of the Less-Common Metals 142 (1988) 109-121 Space group: F m -3 m Cell volume: 294.212 Cell parameters: 6.651; 6.651; 6.651; 90; 90; 90;

COD ID: 1509189
CIF file	Formula: - Ag Ce Mg2 - Comments: Berger, G.; Weiss, A. Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE=La,Ce,Pr,Nd,Sm) Journal of the Less-Common Metals 142 (1988) 109-121 Space group: F m -3 m Cell volume: 388.059 Cell parameters: 7.294; 7.294; 7.294; 90; 90; 90;

COD ID: 1509460
CIF file	Formula: - Ag Mg2 Pr - Comments: Berger, G.; Weiss, A. Ternary intermetallic phases with Heusler-phase type structures in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm) Journal of the Less-Common Metals 142 (1988) 109-121 Space group: F m -3 m Cell volume: 382.657 Cell parameters: 7.26; 7.26; 7.26; 90; 90; 90;

COD ID: 1509461
CIF file	Formula: - Ag Mg2 Sm - Comments: Berger, G.; Weiss, A. Ternary intermetallic phases with Heusler-phase type structures in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm) Journal of the Less-Common Metals 142 (1988) 109-121 Space group: F m -3 m Cell volume: 372.316 Cell parameters: 7.194; 7.194; 7.194; 90; 90; 90;

COD ID: 1509498
CIF file	Formula: - Ag O3 V - Comments: Akashi, H.; Kittaka, S.; Matsuno, K. Crystal structure of alpha-Ag V O3 and phase relation of Ag V O3 Journal of Solid State Chemistry 142 (1999) 360-367 Space group: C 1 2/c 1 Cell volume: 563.275 Cell parameters: 10.437; 9.897; 5.532; 90; 99.69; 90;

COD ID: 1511186
CIF file	Formula: - B I N2 Sr2 - Comments: Rohrer, F.E.; Nesper, R. Sr2 B N2 I: a strontium iodide compound with isolated B N2(3-) units Journal of Solid State Chemistry 142 (1999) 187-191 Space group: P 1 21/m 1 Cell volume: 575.335 Cell parameters: 10.284; 4.224; 13.246; 90; 90.87; 90;

COD ID: 1511527
CIF file	Formula: - B5 Ba8 F N10 - Comments: Rohrer, F.E.; Nesper, R. Ba8 (B N2)5 F: A barium fluoride compound with isolated B N2(3-) units Journal of Solid State Chemistry 142 (1999) 192-198 Space group: P -1 Cell volume: 1838.92 Cell parameters: 4.204; 20.92; 20.95; 91.74; 90.03; 93.12;

COD ID: 1522658
CIF file	Formula: - Ni7 Th4 - Comments: Palenzona, A.; Cirafici, S. The equilibrium diagram of the Th-Ni system Journal of the Less-Common Metals 142 (1988) 311-317 Space group: C 1 2/c 1 Cell volume: 209.96 Cell parameters: 5.509; 5.51; 7.445; 90; 111.71; 90;

COD ID: 1524064
CIF file	Formula: - Ce Cu Mg2 - Comments: Berger, G.; Weiss, A. Ternary intermetallic phases with Heusler-phase type structure in the system Ag-Mg-RE (RE= La, Ce, Pr, Nd, Sm) Journal of the Less-Common Metals 142 (1988) 109-121 Space group: F m -3 m Cell volume: 387.42 Cell parameters: 7.29; 7.29; 7.29; 90; 90; 90;

COD ID: 1524375
CIF file	Formula: - Cu2 Ga Sr - Comments: Fornasini, M.L.; Merlo, F. The crystal structure of Ca2 Cu2 Ga, Ca Cu Ga, Sr Cu2 Ga and Ba Cu2 Ga Journal of the Less-Common Metals 142 (1988) 289-294 Space group: R -3 m :H Cell volume: 251.576 Cell parameters: 4.271; 4.271; 15.925; 90; 90; 120;

COD ID: 1530189
CIF file	Formula: - Nb8 O14 Sr - Comments: Koehler, J.; Simon, A.; Hibble, S.J.; Cheetham, A.K. A Single-Crystal and Synchrotron Powder X-Ray Refinement of the Structure of Sr Nb8 O14, a New Oxoniobate containing Nb6 Octahedra Journal of the Less-Common Metals 142 (1988) 123-133 Space group: P b a m Cell volume: 567.752 Cell parameters: 9.257; 10.301; 5.954; 90; 90; 90;

COD ID: 1530461
CIF file	Formula: - C6 H8 Bi Fe N6 O4 - Comments: Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L. Synthesis, spectroscopic studies, and crystal and molecular structure of bismuth hexacyanoferrate(III) tetrahydrate, Bi Fe (C N)6 4(H2 O) Inorganica Chimica Acta 142 (1988) 9-12 Space group: P 1 21/m 1 Cell volume: 653.83 Cell parameters: 7.42; 13.678; 7.421; 90; 119.76; 90;

COD ID: 1530462
CIF file	Formula: - H3 In0.5 O3 Sc0.49 - Comments: Mullica, D.F.; Sappenfield, E.L.; Gable, D.R. Synthesis, spectral analyses and X-ray diffraction studies of 1:1 (Sc,In)(O H)3 Journal of the Less-Common Metals 142 (1988) 341-347 Space group: I m -3 Cell volume: 502.65 Cell parameters: 7.951; 7.951; 7.951; 90; 90; 90;

COD ID: 1538749
CIF file	Formula: - Hg Te - Comments: Mariano, A.N.; Warekois, E.P. High pressure phases of some compounds of groups II-VI Science 142 (1963) 672-673 Space group: F -4 3 m Cell volume: 267.09 Cell parameters: 6.44; 6.44; 6.44; 90; 90; 90;

COD ID: 1538951
CIF file	Formula: - Ni2 Th - Comments: Palenzona, A.; Cirafici, S. The equilibrium diagram of the Th - Ni system Journal of the Less-Common Metals 142 (1988) 311-317 Space group: P 6/m m m Cell volume: 52.402 Cell parameters: 3.967; 3.967; 3.845; 90; 90; 120;

COD ID: 1538952
CIF file	Formula: - Ni5 Th - Comments: Palenzona, A.; Cirafici, S. The equilibrium diagram of the Th - Ni system Journal of the Less-Common Metals 142 (1988) 311-317 Space group: P 6/m m m Cell volume: 83.743 Cell parameters: 4.926; 4.926; 3.985; 90; 90; 120;

COD ID: 1539461
CIF file	Formula: - Mg Y - Comments: Zanicchi, G.; Contardi, V.; Marazza, R.; Mazzone, D.; Ferro, R. On some lanthanide and pseudolanthanide magnesium alloys Journal of the Less-Common Metals 142 (1988) L31-L36 Space group: P m -3 m Cell volume: 54.742 Cell parameters: 3.797; 3.797; 3.797; 90; 90; 90;

COD ID: 1546510
CIF file	Formula: - Al B Li2 O4 - Comments: Psycharis, V.; Kapoutsis, I. A.; Chryssikos, G. D. Crystal structure and vibrational spectra of Li2BAlO4 Journal of Solid State Chemistry 142 (1999) 214-219 Space group: P 1 21/c 1 Cell volume: 325.78 Cell parameters: 6.272; 5.0701; 10.2989; 90; 95.882; 90;

COD ID: 2002401
CIF file	Formula: - Mn3 Nb2 O9 Zn - Comments: Rohweder, U; Mueller-Buschbaum, Hk Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8 Journal of the Less-Common Metals 142 (1988) 75-83 Space group: P 3 c 1 Cell volume: 347.7 Cell parameters: 5.291; 5.291; 14.342; 90; 90; 120;

COD ID: 2002402
CIF file	Formula: - Mn Nb2 O8 Zn2 - Comments: Rohweder, U; Mueller-Buschbaum, Hk Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8 Journal of the Less-Common Metals 142 (1988) 75-83 Space group: C 1 2/c 1 Cell volume: 596.9 Cell parameters: 19.267; 5.933; 5.222; 90; 90.3; 90;

COD ID: 2002403
CIF file	Formula: - Cu2 O4 W - Comments: Mumm, H C; Mueller-Buschbaum, Hk Zur Kristallstruktur von Cu2 W O4 Journal of the Less-Common Metals 142 (1988) 85-90 Space group: P 1 Cell volume: 352.2 Cell parameters: 7.9018; 8.2008; 5.8718; 96.506; 94.033; 110.27;

COD ID: 2002431
CIF file	Formula: - Mg0.3 O6 Ta2 Zn0.7 - Comments: Halle, G; Mueller-Buschbaum, Hk Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6 Journal of the Less-Common Metals 142 (1988) 263-268 Space group: P 42/m n m Cell volume: 206.6 Cell parameters: 4.735; 4.735; 9.2152; 90; 90; 90;

COD ID: 2002432
CIF file	Formula: - Ni0.15 O6 Ta2 Zn0.85 - Comments: Halle, G; Mueller-Buschbaum, Hk Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6 Journal of the Less-Common Metals 142 (1988) 263-268 Space group: P 42/m n m Cell volume: 205.8 Cell parameters: 4.7316; 4.7316; 9.1909; 90; 90; 90;

COD ID: 2002433
CIF file	Formula: - Mg O6 Ta2 - Comments: Halle, G; Mueller-Buschbaum, Hk Untersuchungen an Zn(1-x) M(x) Ta2 O6 (M = Mg und Ni) mit einer Verfeinerung der Kristallstruktur von Mg Ta2 O6 Journal of Solid State Chemistry 142 (1988) 263-268 Space group: P 42/m n m Cell volume: 204.9 Cell parameters: 4.7189; 4.7189; 9.2003; 90; 90; 90;

COD ID: 2002482
CIF file	Formula: - Ba Eu2 O5 Pt - Comments: Mueller-Buschbaum, Hk; Lang, C Notiz ueber Synthese und Kristallstruktur von Ba Pt Eu2 O5 und Ba Ni Eu2 O5 Journal of the Less-Common Metals 142 (1988) L1-L3 Space group: P -4 b 2 Cell volume: 261.3 Cell parameters: 6.6566; 6.6566; 5.896; 90; 90; 90;

COD ID: 2002483
CIF file	Formula: - Ba Eu2 Ni O5 - Comments: Mueller-Buschbaum, Hk; Lang, C Notiz ueber Synthese und Kristallstruktur von Ba Pt Eu2 O5 und Ba Ni Eu2 O5 Journal of the Less-Common Metals 142 (1988) L1-L3 Space group: I m m m Cell volume: 256.2 Cell parameters: 3.8018; 5.8545; 11.5125; 90; 90; 90;

COD ID: 4133910

CIF file

Formula: - C78 H50 Cl6 N8 -
Comments: Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes. Journal of the American Chemical Society 142(3) (2020) 1482-1491
Space group: P -1
Cell volume: 1538.21
Cell parameters: 11.5979; 12.4869; 13.0234; 111.577; 107.814; 103.415;

COD ID: 4133911

CIF file

Formula: - C81 H53 Cl15 N8 -
Comments: Izumi, Saika; Higginbotham, Heather F.; Nyga, Aleksandra; Stachelek, Patrycja; Tohnai, Norimitsu; Silva, Piotr de; Data, Przemyslaw; Takeda, Youhei; Minakata, Satoshi Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes. Journal of the American Chemical Society 142(3) (2020) 1482-1491
Space group: P 1 21/m 1
Cell volume: 7580.09
Cell parameters: 8.76533; 40.6863; 21.4744; 90; 98.1999; 90;

COD ID: 4133912

CIF file

Formula: - C14 H19 B O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21 1
Cell volume: 698.79
Cell parameters: 10.2772; 6.1873; 11.9566; 90; 113.206; 90;

COD ID: 4133913

CIF file

Formula: - C22 H29 B O3 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1937.67
Cell parameters: 25.9588; 6.6139; 11.2968; 90; 92.514; 90;

COD ID: 4133914

CIF file

Formula: - C21 H24 B N O3 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P -1
Cell volume: 924.2
Cell parameters: 7.9153; 9.4724; 12.8773; 100.926; 101.026; 94.341;

COD ID: 4133915

CIF file

Formula: - C25 H34 B2 O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: I 1 2/a 1
Cell volume: 4810.2
Cell parameters: 25.3806; 6.6166; 31.099; 90; 112.921; 90;

COD ID: 4133916

CIF file

Formula: - C6 H9 B F3 N O -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 774.1
Cell parameters: 7.5748; 7.5235; 13.5891; 90; 91.676; 90;

COD ID: 4133917

CIF file

Formula: - C17 H21 B O3 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/n 1
Cell volume: 3134.44
Cell parameters: 10.5926; 21.6904; 14.3419; 90; 107.969; 90;

COD ID: 4133918

CIF file

Formula: - C13 H16 B F3 O2 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P -1
Cell volume: 682.79
Cell parameters: 8.4082; 8.7515; 10.3759; 107.497; 105.684; 97.298;

COD ID: 4133919

CIF file

Formula: - C10 H11 B F3 K O5 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P c a 21
Cell volume: 1333.29
Cell parameters: 8.0689; 19.1049; 8.649; 90; 90; 90;

COD ID: 4133920

CIF file

Formula: - C18 H22 I N O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1781.52
Cell parameters: 14.7645; 7.7901; 16.2371; 90; 107.458; 90;

COD ID: 4133921

CIF file

Formula: - C14 H18 B N O2 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 2619.41
Cell parameters: 20.3444; 9.5619; 13.8608; 90; 103.721; 90;

COD ID: 4133922

CIF file

Formula: - C22 H26 B N O3 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P -1
Cell volume: 948.81
Cell parameters: 9.1074; 10.4748; 11.1129; 90.07; 103.031; 112.623;

COD ID: 4133923

CIF file

Formula: - C14 H19 B O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1388.55
Cell parameters: 5.8375; 17.0381; 13.9958; 90; 94.048; 90;

COD ID: 4133924

CIF file

Formula: - C32 H38 B Cl3 O5 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1
Cell volume: 1533.34
Cell parameters: 9.4219; 11.3625; 16.4678; 104.315; 92.465; 114.483;

COD ID: 4133925

CIF file

Formula: - C14 H21 B O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P b c a
Cell volume: 2852.91
Cell parameters: 17.8482; 7.0235; 22.7583; 90; 90; 90;

COD ID: 4133926

CIF file

Formula: - C20 H21 B O2 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 21 21 21
Cell volume: 3358.35
Cell parameters: 10.1479; 10.5387; 31.4024; 90; 90; 90;

COD ID: 4133927

CIF file

Formula: - C13 H18 B F O2 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1295.49
Cell parameters: 13.7679; 7.5766; 12.4291; 90; 92.295; 90;

COD ID: 4133928

CIF file

Formula: - C13 H18 B F O3 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1308.02
Cell parameters: 6.7381; 12.3279; 15.8619; 90; 96.91; 90;

COD ID: 4133929

CIF file

Formula: - C13 H19 B O2 S -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 21 21 21
Cell volume: 1386.51
Cell parameters: 9.4792; 11.0501; 13.2369; 90; 90; 90;

COD ID: 4133930

CIF file

Formula: - C26 H36 B2 O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P 1 21/c 1
Cell volume: 1229.44
Cell parameters: 17.2944; 6.5162; 11.397; 90; 106.818; 90;

COD ID: 4133931

CIF file

Formula: - C19 H26 B N O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: C 1 2 1
Cell volume: 1917.93
Cell parameters: 27.1253; 6.6649; 12.131; 90; 119.012; 90;

COD ID: 4133932

CIF file

Formula: - C17 H26 B N O4 -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P n a 21
Cell volume: 1819.43
Cell parameters: 10.008; 19.8705; 9.1491; 90; 90; 90;

COD ID: 4133933

CIF file

Formula: - C5 H5 B F4 K N O -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P b c m
Cell volume: 828.73
Cell parameters: 8.5562; 13.8694; 6.9835; 90; 90; 90;

COD ID: 4133937

CIF file

Formula: - C46 H60 N6 O8 S -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P -1
Cell volume: 2802.19
Cell parameters: 11.9458; 15.1939; 16.5538; 76.623; 88.347; 73.614;

COD ID: 4133938

CIF file

Formula: - C56 H77 N6 O9 -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P -1
Cell volume: 2681.5
Cell parameters: 11.7856; 15.0499; 17.5779; 68.685; 71.465; 71.534;

COD ID: 4133939

CIF file

Formula: - C50 H62 N6 O8 -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P -1
Cell volume: 2783.8
Cell parameters: 12.8492; 14.4967; 16.6539; 102.285; 91.716; 112.279;

COD ID: 4133940

CIF file

Formula: - C52 H68 N6 O9 -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P -1
Cell volume: 2717.3
Cell parameters: 12.0076; 14.8684; 17.0843; 73.739; 86.373; 68.275;

COD ID: 4133941

CIF file

Formula: - C48 H57 Cl6 N6 O4 -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P -1
Cell volume: 2691.9
Cell parameters: 12.13; 14.831; 16.344; 78.46; 88.91; 69.37;

COD ID: 4133942

CIF file

Formula: - C30 H36 N4 O4 -
Comments: Wang, Fei; Sen, Sajal; Chen, Chuang; Bähring, Steffen; Lei, Chuanhu; Duan, Zhiming; Zhang, Zhan; Sessler, Jonathan L.; Jana, Atanu Self-Assembled Cagelike Receptor That Binds Biologically Relevant Dicarboxylic Acids via Proton-Coupled Anion Recognition. Journal of the American Chemical Society 142(4) (2020) 1987-1994
Space group: P 1 21/c 1
Cell volume: 2750.31
Cell parameters: 11.0628; 26.8155; 9.3804; 90; 98.755; 90;

COD ID: 4133943

CIF file

Formula: - C40 H28 -
Comments: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression. Journal of the American Chemical Society 142(3) (2020) 1153-1158
Space group: P 1 21/n 1
Cell volume: 2755.2
Cell parameters: 11.7742; 17.2343; 13.6399; 90; 95.461; 90;

COD ID: 4133944

CIF file

Formula: - C40 H28 -
Comments: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression. Journal of the American Chemical Society 142(3) (2020) 1153-1158
Space group: P 1 21/n 1
Cell volume: 2708.82
Cell parameters: 11.6624; 17.1444; 13.6082; 90; 95.398; 90;

COD ID: 4133945

CIF file

Formula: - C40 H28 -
Comments: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression. Journal of the American Chemical Society 142(3) (2020) 1153-1158
Space group: P 1 21/n 1
Cell volume: 2729.56
Cell parameters: 11.7141; 17.1834; 13.6219; 90; 95.444; 90;

COD ID: 4133946

CIF file

Formula: - C40 H28 -
Comments: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression. Journal of the American Chemical Society 142(3) (2020) 1153-1158
Space group: P -1
Cell volume: 1421.28
Cell parameters: 9.5948; 9.7067; 15.6253; 79.68; 84.432; 84.978;

COD ID: 4133947

CIF file

Formula: - C40 H28 -
Comments: Liu, Haichao; Gu, Yarong; Dai, Yuxiang; Wang, Kai; Zhang, Shitong; Chen, Gang; Zou, Bo; Yang, Bing Pressure-Induced Blue-Shifted and Enhanced Emission: A Cooperative Effect between Aggregation-Induced Emission and Energy-Transfer Suppression. Journal of the American Chemical Society 142(3) (2020) 1153-1158
Space group: P 1 21/n 1
Cell volume: 2780.7
Cell parameters: 11.8538; 17.2687; 13.6467; 90; 95.481; 90;

COD ID: 4133954

CIF file

Formula: - C48 H80 K2 O40 -
Comments: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society 142(4) (2020) 2042-2050
Space group: R 3 2 :H
Cell volume: 45562
Cell parameters: 43.512; 43.512; 27.788; 90; 90; 120;

COD ID: 4133955

CIF file

Formula: - C186 H283 K6 O142 -
Comments: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society 142(4) (2020) 2042-2050
Space group: P 43 21 2
Cell volume: 59427
Cell parameters: 31.089; 31.089; 61.485; 90; 90; 90;

COD ID: 4133956

CIF file

Formula: - C193 H311 K6 O154 -
Comments: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society 142(4) (2020) 2042-2050
Space group: P 43 21 2
Cell volume: 59720
Cell parameters: 31.212; 31.212; 61.302; 90; 90; 90;

COD ID: 4133957

CIF file

Formula: - C48 H80 K2 O40 -
Comments: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society 142(4) (2020) 2042-2050
Space group: I 4 3 2
Cell volume: 29830
Cell parameters: 31.0134; 31.0134; 31.0134; 90; 90; 90;

COD ID: 4133958

CIF file

Formula: - C66 H62 Cl2 O10 -
Comments: Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis. Journal of the American Chemical Society 142(4) (2020) 1752-1756
Space group: C 1 2/c 1
Cell volume: 5201.2
Cell parameters: 26.397; 12.179; 16.274; 90; 96.21; 90;

COD ID: 4133959

CIF file

Formula: - C65 H60 O10 -
Comments: Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis. Journal of the American Chemical Society 142(4) (2020) 1752-1756
Space group: P -1
Cell volume: 2732
Cell parameters: 8.593; 18.778; 19.167; 62.663; 84.421; 85.31;

COD ID: 4133960

CIF file

Formula: - C65 H60 O10 -
Comments: Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis. Journal of the American Chemical Society 142(4) (2020) 1752-1756
Space group: P 1 21/c 1
Cell volume: 10596
Cell parameters: 16.777; 32.962; 19.166; 90; 91.3; 90;

COD ID: 4133961

CIF file

Formula: - C68 H66 Cl6 O10 -
Comments: Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis. Journal of the American Chemical Society 142(4) (2020) 1752-1756
Space group: P -1
Cell volume: 2989.2
Cell parameters: 13.171; 13.404; 17.673; 76.093; 80.772; 88.492;

COD ID: 4133962

CIF file

Formula: - C66.9 H63.8 Cl3.8 O10 -
Comments: Della Sala, Paolo; Del Regno, Rocco; Talotta, Carmen; Capobianco, Amedeo; Hickey, Neal; Geremia, Silvano; De Rosa, Margherita; Spinella, Aldo; Soriente, Annunziata; Neri, Placido; Gaeta, Carmine Prismarenes: A New Class of Macrocyclic Hosts Obtained by Templation in a Thermodynamically Controlled Synthesis. Journal of the American Chemical Society 142(4) (2020) 1752-1756
Space group: P -1
Cell volume: 2823.5
Cell parameters: 10.323; 13.772; 21.117; 107.381; 86.9; 99.769;

COD ID: 4133963

CIF file

Formula: - C35 H49 Cl2 Cu N7 O13 -
Comments: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation. Journal of the American Chemical Society 142(4) (2020) 1726-1730
Space group: P n a 21
Cell volume: 4029.3
Cell parameters: 16.0633; 13.4867; 18.5991; 90; 90; 90;

COD ID: 4133964

CIF file

Formula: - C35 H49 Cl3 Cu N6 O11 -
Comments: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation. Journal of the American Chemical Society 142(4) (2020) 1726-1730
Space group: P 1 21/c 1
Cell volume: 3941
Cell parameters: 13.007; 16.788; 18.574; 90; 103.666; 90;

COD ID: 4133965

CIF file

Formula: - C33 H45.35 Cl Cu N6 O9.17 -
Comments: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation. Journal of the American Chemical Society 142(4) (2020) 1726-1730
Space group: P -1
Cell volume: 1665.3
Cell parameters: 12.2345; 12.3329; 13.275; 112.421; 110.003; 96.959;

COD ID: 4133966

CIF file

Formula: - C33 H45 Cl N6 O9 Zn -
Comments: Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation. Journal of the American Chemical Society 142(4) (2020) 1726-1730
Space group: C 1 2/c 1
Cell volume: 6855
Cell parameters: 21.826; 14.923; 21.694; 90; 104.035; 90;

COD ID: 4133967
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 693.25 Cell parameters: 7.1737; 9.0077; 11.2753; 78.169; 76.779; 84.426;

COD ID: 4133968
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 699.8 Cell parameters: 7.1724; 9.0455; 11.3389; 78.035; 76.862; 84.337;

COD ID: 4133969
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 711.06 Cell parameters: 7.1985; 9.0868; 11.4367; 77.856; 76.835; 84.259;

COD ID: 4133970
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 714.46 Cell parameters: 7.1977; 9.1039; 11.47; 77.76; 76.956; 84.228;

COD ID: 4133971
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 721.17 Cell parameters: 7.2034; 9.1326; 11.5371; 77.61; 76.995; 84.19;

COD ID: 4133972
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 725.96 Cell parameters: 7.2072; 9.1517; 11.5869; 77.501; 77.039; 84.118;

COD ID: 4133973
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 731.74 Cell parameters: 7.2024; 9.176; 11.6626; 77.256; 77.158; 84.012;

COD ID: 4133974
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 736.55 Cell parameters: 7.2034; 9.1958; 11.7123; 77.17; 77.261; 83.959;

COD ID: 4133975
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 740.85 Cell parameters: 7.199; 9.2156; 11.7675; 76.977; 77.346; 83.954;

COD ID: 4133976
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P -1 Cell volume: 743.4 Cell parameters: 7.1877; 9.2267; 11.815; 76.824; 77.466; 83.877;

COD ID: 4133977
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: B -1 Cell volume: 747.6 Cell parameters: 7.167; 9.2494; 11.888; 76.621; 77.687; 83.786;

COD ID: 4133978
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: B -1 Cell volume: 747.94 Cell parameters: 7.1618; 9.2536; 11.8972; 76.583; 77.727; 83.757;

COD ID: 4133979
CIF file	Formula: - C16 H10 F6 Fe - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: B -1 Cell volume: 750.78 Cell parameters: 7.1683; 9.2643; 11.916; 76.588; 77.763; 83.749;

COD ID: 4133980
CIF file	Formula: - C10 H10 Ru - Comments: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society 142(4) (2020) 1731-1734 Space group: P n m a Cell volume: 793.18 Cell parameters: 7.0229; 8.8503; 12.7614; 90; 90; 90;

COD ID: 4133981

CIF file

Formula: - C57 H40 Cl4 -
Comments: Hamada, Hiroyoshi; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi Axially Chiral Spiro-Conjugated Carbon-Bridged p-Phenylenevinylene Congeners: Synthetic Design and Materials Properties. Journal of the American Chemical Society 142(4) (2020) 2059-2067
Space group: C 1 2/c 1
Cell volume: 4186.6
Cell parameters: 11.9001; 15.8666; 22.7472; 90; 102.9; 90;

COD ID: 4133982

CIF file

Formula: - Ga27 Rb8 Sb19 -
Comments: Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs8In27Sb19 and A8Ga27Sb19 (A = Cs, Rb). Journal of the American Chemical Society 142(4) (2020) 2031-2041
Space group: I a -3
Cell volume: 12003
Cell parameters: 22.8962; 22.8962; 22.8962; 90; 90; 90;

COD ID: 4133983

CIF file

Formula: - Cs8 Ga27 Sb19 -
Comments: Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs8In27Sb19 and A8Ga27Sb19 (A = Cs, Rb). Journal of the American Chemical Society 142(4) (2020) 2031-2041
Space group: I a -3
Cell volume: 12087.3
Cell parameters: 22.9497; 22.9497; 22.9497; 90; 90; 90;

COD ID: 4133984

CIF file

Formula: - Cs8 In27 Sb19 -
Comments: Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs8In27Sb19 and A8Ga27Sb19 (A = Cs, Rb). Journal of the American Chemical Society 142(4) (2020) 2031-2041
Space group: I a -3
Cell volume: 14637.8
Cell parameters: 24.462; 24.462; 24.462; 90; 90; 90;

COD ID: 4133985

CIF file

Formula: - Cs8 In27 Sb19 -
Comments: Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs8In27Sb19 and A8Ga27Sb19 (A = Cs, Rb). Journal of the American Chemical Society 142(4) (2020) 2031-2041
Space group: I a -3
Cell volume: 14633
Cell parameters: 24.4593; 24.4593; 24.4593; 90; 90; 90;

COD ID: 4134002
CIF file	Formula: - C20 H24 Br N O - Comments: Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J. Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers. Journal of the American Chemical Society 142(4) (2020) 1704-1709 Space group: P 21 21 21 Cell volume: 1803.84 Cell parameters: 5.8422; 9.8585; 31.3192; 90; 90; 90;

COD ID: 4134008

CIF file

Formula: - C21 H20 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/c 1
Cell volume: 1677.65
Cell parameters: 11.7287; 11.3446; 12.7178; 90; 97.519; 90;

COD ID: 4134009

CIF file

Formula: - C24 H19 F3 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/c 1
Cell volume: 1938.22
Cell parameters: 12.5418; 14.2968; 10.9243; 90; 98.314; 90;

COD ID: 4134010

CIF file

Formula: - C23 H20 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P -1
Cell volume: 1812.14
Cell parameters: 10.1059; 14.1498; 14.8124; 64.5952; 86.5106; 71.9003;

COD ID: 4134011

CIF file

Formula: - C23 H24 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/c 1
Cell volume: 1868.3
Cell parameters: 6.2016; 22.6245; 13.4647; 90; 98.531; 90;

COD ID: 4134012

CIF file

Formula: - C20 H19 Cl3 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/n 1
Cell volume: 1979.93
Cell parameters: 7.422; 27.9118; 10.1865; 90; 110.241; 90;

COD ID: 4134013

CIF file

Formula: - C23 H22 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/n 1
Cell volume: 1812.74
Cell parameters: 5.9996; 11.7006; 25.9222; 90; 95.015; 90;

COD ID: 4134014

CIF file

Formula: - C27 H22 N2 O2 -
Comments: Wang, Gang-Wei; Boyd, Olivia; Young, Tom A.; Bertrand, Sophie M.; Bower, John F. Rhodacyclopentanones as Linchpins for the Atom Economical Assembly of Diverse Polyheterocycles. Journal of the American Chemical Society 142(4) (2020) 1740-1745
Space group: P 1 21/n 1
Cell volume: 2038.99
Cell parameters: 10.2646; 10.6815; 18.9544; 90; 101.145; 90;

COD ID: 4134097

CIF file

Formula: - C46 H74 B2 Li2 N2 O14 S2 -
Comments: Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin CO2 Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines. Journal of the American Chemical Society 142(4) (2020) 1966-1974
Space group: P 1
Cell volume: 1332.17
Cell parameters: 10.024; 11.6749; 11.9422; 88.059; 78.739; 76.405;

COD ID: 4134098

CIF file

Formula: - C24 H33 B Li N O6 -
Comments: Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin CO2 Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines. Journal of the American Chemical Society 142(4) (2020) 1966-1974
Space group: P 1 21/n 1
Cell volume: 2490.8
Cell parameters: 11.3506; 21.435; 11.6494; 90; 118.503; 90;

COD ID: 4134099

CIF file

Formula: - C51 H67 B Cu N3 O5 -
Comments: Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin CO2 Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines. Journal of the American Chemical Society 142(4) (2020) 1966-1974
Space group: P 1 21/c 1
Cell volume: 4812.5
Cell parameters: 10.566; 17.8925; 25.953; 90; 101.234; 90;

COD ID: 4134100

CIF file

Formula: - C6 H13 B F4 N2 -
Comments: Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory. Journal of the American Chemical Society 142(4) (2020) 1995-2000
Space group: P c a 21
Cell volume: 1781.7
Cell parameters: 13.1375; 7.6331; 17.7668; 90; 90; 90;

COD ID: 4134101

CIF file

Formula: - C6 H13 B F4 N2 -
Comments: Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory. Journal of the American Chemical Society 142(4) (2020) 1995-2000
Space group: P c a 21
Cell volume: 1795.9
Cell parameters: 13.1772; 7.6745; 17.759; 90; 90; 90;

COD ID: 4134102

CIF file

Formula: - C6 H13 B F4 N2 -
Comments: Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory. Journal of the American Chemical Society 142(4) (2020) 1995-2000
Space group: P c a 21
Cell volume: 1811.9
Cell parameters: 13.1942; 7.7179; 17.793; 90; 90; 90;

COD ID: 4134103
CIF file	Formula: - C40 H43 N3 - Comments: An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts. Journal of the American Chemical Society 142(3) (2020) 1526-1547 Space group: P b c a Cell volume: 6351.7 Cell parameters: 11.6748; 15.0381; 36.178; 90; 90; 90;

COD ID: 4134104

CIF file

Formula: - C25 H22 Br N3 -
Comments: Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes. Journal of the American Chemical Society 142(3) (2020) 1200-1205
Space group: P 1 21/c 1
Cell volume: 2009.6
Cell parameters: 11.7135; 14.8409; 12.0272; 90; 106.018; 90;

COD ID: 4134105

CIF file

Formula: - C27 H25 Br N2 O -
Comments: Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes. Journal of the American Chemical Society 142(3) (2020) 1200-1205
Space group: P 1
Cell volume: 563.27
Cell parameters: 6.1625; 8.0217; 12.3804; 91.478; 97.316; 111.443;

COD ID: 4134106

CIF file

Formula: - C23 H24 N2 -
Comments: Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes. Journal of the American Chemical Society 142(3) (2020) 1200-1205
Space group: P 1 21/c 1
Cell volume: 3564.8
Cell parameters: 9.9079; 17.101; 21.218; 90; 97.44; 90;

COD ID: 4134107

CIF file

Formula: - C10 H36 Br10 N4 Sn3 -
Comments: Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor. Journal of the American Chemical Society 142(3) (2020) 1159-1163
Space group: C m c 21
Cell volume: 3542.6
Cell parameters: 51.021; 8.3783; 8.2874; 90; 90; 90;

COD ID: 4134108

CIF file

Formula: - C10 H36 Br10 N4 Sn3 -
Comments: Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor. Journal of the American Chemical Society 142(3) (2020) 1159-1163
Space group: I 4/m
Cell volume: 1808.3
Cell parameters: 5.9165; 5.9165; 51.658; 90; 90; 90;

COD ID: 4134109

CIF file

Formula: - C10 H36 Br10 N4 Sn3 -
Comments: Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor. Journal of the American Chemical Society 142(3) (2020) 1159-1163
Space group: C m c e
Cell volume: 3565.5
Cell parameters: 8.3285; 51.1418; 8.3709; 90; 90; 90;

COD ID: 4134110
CIF file	Formula: - C22 H26 N2 O3 - Comments: Haelsig, Karl T.; Xuan, Jun; Maimone, Thomas J. Total Synthesis of (-)-Curvulamine. Journal of the American Chemical Society 142(3) (2020) 1206-1210 Space group: C 1 2/c 1 Cell volume: 3775.2 Cell parameters: 28.1578; 10.3555; 12.9667; 90; 93.156; 90;

COD ID: 4134114

CIF file

Formula: - C18 H8 F4 I2 N2 -
Comments: Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy. Journal of the American Chemical Society 142(3) (2020) 1645-1654
Space group: P 1 21/c 1
Cell volume: 1784.8
Cell parameters: 4.5618; 16.2462; 24.088; 90; 91.259; 90;

COD ID: 4134115

CIF file

Formula: - C32 H18 F4 I2 N2 -
Comments: Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy. Journal of the American Chemical Society 142(3) (2020) 1645-1654
Space group: P 1 21/c 1
Cell volume: 1347.93
Cell parameters: 10.4907; 5.5679; 23.0787; 90; 90.765; 90;

COD ID: 4134116

CIF file

Formula: - C14 H12 F4 I2 N2 -
Comments: Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy. Journal of the American Chemical Society 142(3) (2020) 1645-1654
Space group: P 1 21/c 1
Cell volume: 845.51
Cell parameters: 11.0573; 5.7031; 14.0136; 90; 106.908; 90;

COD ID: 4134117

CIF file

Formula: - C4 H3 F N2 O2 -
Comments: Ruiz-Preciado, Marco A; Kubicki, Dominik J.; Hofstetter, Albert; McGovern, Lucie; Futscher, Moritz H.; Ummadisingu, Amita; Gershoni-Poranne, Renana; Zakeeruddin, Shaik M.; Ehrler, Bruno; Emsley, Lyndon; Milić, Jovana V; Grätzel, Michael Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy. Journal of the American Chemical Society 142(3) (2020) 1645-1654
Space group: P -1
Cell volume: 966.4
Cell parameters: 8.6329; 9.156; 12.5796; 99.119; 100.021; 90.017;

COD ID: 4134118
CIF file	Formula: - C49 H51 N O2 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: C 1 2/c 1 Cell volume: 7746.9 Cell parameters: 16.8553; 12.3832; 37.1996; 90; 93.846; 90;

COD ID: 4134119
CIF file	Formula: - C51 H52 Cl3 N - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/n 1 Cell volume: 4252.8 Cell parameters: 14.2903; 17.0847; 17.5892; 90; 97.972; 90;

COD ID: 4134120
CIF file	Formula: - C67.53 H61.29 Cl3.64 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: C 1 2/c 1 Cell volume: 11114.6 Cell parameters: 33.0129; 14.4043; 25.2944; 90; 112.475; 90;

COD ID: 4134121
CIF file	Formula: - C50 H59 O2 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/n 1 Cell volume: 3912.12 Cell parameters: 10.5901; 13.8435; 26.7612; 90; 94.326; 90;

COD ID: 4134122
CIF file	Formula: - C48 H68 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/c 1 Cell volume: 4190.89 Cell parameters: 17.5666; 11.9458; 21.4091; 90; 111.119; 90;

COD ID: 4134123
CIF file	Formula: - C50 H59 N - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/n 1 Cell volume: 4319.69 Cell parameters: 14.1678; 17.2717; 17.8226; 90; 97.914; 90;

COD ID: 4134124
CIF file	Formula: - C82 H80 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/n 1 Cell volume: 6020.2 Cell parameters: 17.7064; 18.1407; 19.7159; 90; 108.079; 90;

COD ID: 4134125
CIF file	Formula: - C98 H98 Cl6 - Comments: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang Hydrocarbon Belts with Truncated Cone Structures. Journal of the American Chemical Society 142(3) (2020) 1196-1199 Space group: P 1 21/c 1 Cell volume: 7826.2 Cell parameters: 18.4244; 10.1229; 42.563; 90; 99.643; 90;

COD ID: 4134130
CIF file	Formula: - C75 H71 B Cl8 F4 N4 O3 Ru - Comments: Zhang, Yutong; Diver, Steven T. A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis. Journal of the American Chemical Society 142(7) (2020) 3371-3374 Space group: P c a 21 Cell volume: 13934.1 Cell parameters: 26.8848; 18.2115; 28.4594; 90; 90; 90;

COD ID: 4134138

CIF file

Formula: - C40 H72 O4 P2 Pd -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P -1
Cell volume: 2020.96
Cell parameters: 9.587; 13.1727; 16.0211; 91.788; 91.228; 91.613;

COD ID: 4134139

CIF file

Formula: - C45 H76 O4 P2 Pd S -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P -1
Cell volume: 2291.99
Cell parameters: 10.2937; 13.7632; 17.3117; 87.089; 73.891; 76.606;

COD ID: 4134140

CIF file

Formula: - C29 H43 Cl2 N2 O4 P Pd S2 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P 1 21/c 1
Cell volume: 3328.53
Cell parameters: 10.0029; 29.0336; 11.5546; 90; 97.295; 90;

COD ID: 4134141

CIF file

Formula: - C62 H88 F2 O4 P2 Pd2 S2 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P 1 21/c 1
Cell volume: 3044.8
Cell parameters: 13.3684; 24.2919; 9.5064; 90; 99.501; 90;

COD ID: 4134142

CIF file

Formula: - C62 H82 F8 O4 P2 Pd2 S2 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P 1 21/c 1
Cell volume: 3121.5
Cell parameters: 13.5764; 24.6; 9.5037; 90; 100.444; 90;

COD ID: 4134143

CIF file

Formula: - C32 H48 F N O2 P Pd S -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: C 1 2/c 1
Cell volume: 6444.6
Cell parameters: 33.707; 9.0995; 27.7743; 90; 130.842; 90;

COD ID: 4134144

CIF file

Formula: - C30.5 H44 Cl F N O3 P Pd S -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P -1
Cell volume: 1571.88
Cell parameters: 8.8944; 10.3439; 17.8359; 79.425; 82.298; 78.361;

COD ID: 4134145

CIF file

Formula: - C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P -1
Cell volume: 1907.9
Cell parameters: 12.1932; 13.162; 13.4651; 64.568; 86.354; 77.968;

COD ID: 4134146

CIF file

Formula: - C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P 21 21 21
Cell volume: 4641.6
Cell parameters: 9.7818; 13.9735; 33.9579; 90; 90; 90;

COD ID: 4134147

CIF file

Formula: - C62 H88 F2 O6 P2 Pd2 S2 -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P -1
Cell volume: 1569.84
Cell parameters: 9.5185; 13.3787; 14.2586; 62.876; 78.221; 78.401;

COD ID: 4134148

CIF file

Formula: - C30 H40 F4 N O2 P Pd S -
Comments: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts. Journal of the American Chemical Society 142(7) (2020) 3564-3576
Space group: P 1 21/c 1
Cell volume: 5991.75
Cell parameters: 10.5859; 20.2148; 28.1308; 90; 95.53; 90;

COD ID: 4134149

CIF file

Formula: - C72 H90 N6 O4 Ru -
Comments: Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH3 through Modification of the Hydrogen Atom Abstractor. Journal of the American Chemical Society 142(7) (2020) 3361-3365
Space group: P -1
Cell volume: 1575.56
Cell parameters: 11.2702; 11.8317; 12.8794; 100.208; 90.767; 110.714;

COD ID: 4134150

CIF file

Formula: - C33 H36 O -
Comments: Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH3 through Modification of the Hydrogen Atom Abstractor. Journal of the American Chemical Society 142(7) (2020) 3361-3365
Space group: P -1
Cell volume: 1299
Cell parameters: 9.6158; 10.5411; 13.8499; 99.752; 106.021; 98.98;

COD ID: 4134151

CIF file

Formula: - C68 H73 N O2 -
Comments: Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH3 through Modification of the Hydrogen Atom Abstractor. Journal of the American Chemical Society 142(7) (2020) 3361-3365
Space group: P 1 21 1
Cell volume: 2701.5
Cell parameters: 9.8007; 15.2538; 18.072; 90; 90.781; 90;

COD ID: 4134159

CIF file

Formula: - C102 H133 F12 N2 O12 P2 -
Comments: Jia, Fei; Schröder, Hendrik V; Yang, Liu-Pan; von Essen, Carolina; Sobottka, Sebastian; Sarkar, Biprajit; Rissanen, Kari; Jiang, Wei; Schalley, Christoph A. Redox-Responsive Host-Guest Chemistry of a Flexible Cage with Naphthalene Walls. Journal of the American Chemical Society 142(7) (2020) 3306-3310
Space group: C 1 2/c 1
Cell volume: 19714
Cell parameters: 25.574; 27.719; 29.313; 90; 108.43; 90;

COD ID: 4134164

CIF file

Formula: - C18 H34 Co N7 O2 -
Comments: Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo2} Molecular Nanomagnets. Journal of the American Chemical Society 142(8) (2020) 3970-3979
Space group: P b c n
Cell volume: 2389.27
Cell parameters: 10.0903; 16.1879; 14.6275; 90; 90; 90;

COD ID: 4134165

CIF file

Formula: - C36 H83 Co2 N24 O8 P4 Yb -
Comments: Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo2} Molecular Nanomagnets. Journal of the American Chemical Society 142(8) (2020) 3970-3979
Space group: I 4/m m m
Cell volume: 3127.6
Cell parameters: 12.7427; 12.7427; 19.2613; 90; 90; 90;

COD ID: 4134166

CIF file

Formula: - C23 H32 B2 N2 O2 -
Comments: Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J. A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes. Journal of the American Chemical Society 142(8) (2020) 3923-3930
Space group: P 1 21 1
Cell volume: 3307.35
Cell parameters: 9.9436; 10.0616; 33.1823; 90; 94.971; 90;

COD ID: 4134167

CIF file

Formula: - C28 H31 B3 N4 O2 -
Comments: Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J. A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes. Journal of the American Chemical Society 142(8) (2020) 3923-3930
Space group: P 1 21 1
Cell volume: 2527.24
Cell parameters: 12.8184; 14.4126; 13.8468; 90; 98.915; 90;

COD ID: 4134168
CIF file	Formula: - C16 H21 B O2 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21/n 1 Cell volume: 1424.2 Cell parameters: 13.6508; 6.5437; 16.043; 90; 96.376; 90;

COD ID: 4134169
CIF file	Formula: - C22 H32 B2 O4 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21/c 1 Cell volume: 2207.4 Cell parameters: 16.4821; 11.7361; 12.1569; 90; 110.168; 90;

COD ID: 4134170
CIF file	Formula: - C17 H13 F3 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21/c 1 Cell volume: 1267.6 Cell parameters: 12.6555; 11.109; 9.1227; 90; 98.759; 90;

COD ID: 4134171
CIF file	Formula: - C16 H13 N O2 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P -1 Cell volume: 1791.46 Cell parameters: 6.0297; 17.3499; 18.4258; 69.193; 84.17; 86.052;

COD ID: 4134172
CIF file	Formula: - C17 H16 O - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21 1 Cell volume: 610.64 Cell parameters: 6.1082; 7.4449; 13.477; 90; 94.885; 90;

COD ID: 4134173
CIF file	Formula: - C14 H12 S - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: I 1 2 1 Cell volume: 2122.52 Cell parameters: 14.0151; 6.2442; 24.7473; 90; 101.462; 90;

COD ID: 4134174
CIF file	Formula: - C24 H16 F6 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P b c a Cell volume: 3666.5 Cell parameters: 9.8589; 7.7089; 48.243; 90; 90; 90;

COD ID: 4134175
CIF file	Formula: - C22 H16 N2 O4 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21/c 1 Cell volume: 1722.88 Cell parameters: 10.598; 11.569; 14.0558; 90; 91.353; 90;

COD ID: 4134176
CIF file	Formula: - C18 H14 N4 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P -1 Cell volume: 678.27 Cell parameters: 5.9688; 9.4191; 12.889; 109.12; 92.769; 96.001;

COD ID: 4134177
CIF file	Formula: - C23 H17 F3 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P 1 21/c 1 Cell volume: 1648.4 Cell parameters: 11.54; 23.458; 6.0948; 90; 92.458; 90;

COD ID: 4134178
CIF file	Formula: - C21 H15 F3 N2 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P -1 Cell volume: 802.26 Cell parameters: 6.0199; 10.2544; 13.5415; 77.465; 79.509; 86.865;

COD ID: 4134179
CIF file	Formula: - C28 H22 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: C 1 c 1 Cell volume: 1962.3 Cell parameters: 14.6017; 10.0834; 13.3292; 90; 90.884; 90;

COD ID: 4134180
CIF file	Formula: - C13 H12 N2 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P n a 21 Cell volume: 1998.3 Cell parameters: 12.0859; 14.622; 11.3077; 90; 90; 90;

COD ID: 4134181
CIF file	Formula: - C22 H18 - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: P -1 Cell volume: 746.78 Cell parameters: 5.9975; 10.0967; 13.1405; 108.776; 90.715; 96.917;

COD ID: 4134182

CIF file

Formula: - C41 H34 Au Cl O5 P2 -
Comments: Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis. Journal of the American Chemical Society 142(8) (2020) 3797-3805
Space group: P 21 21 21
Cell volume: 3759.1
Cell parameters: 10.8015; 17.679; 19.6851; 90; 90; 90;

COD ID: 4134183

CIF file

Formula: - C38 H25 Au Cl2 O3 P2 -
Comments: Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis. Journal of the American Chemical Society 142(8) (2020) 3797-3805
Space group: P 21 21 21
Cell volume: 6817.4
Cell parameters: 11.26267; 19.0781; 31.7278; 90; 90; 90;

COD ID: 4134184

CIF file

Formula: - C22 H19 N O -
Comments: Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis. Journal of the American Chemical Society 142(8) (2020) 3797-3805
Space group: P 21 21 21
Cell volume: 1679.72
Cell parameters: 6.6896; 8.6995; 28.863; 90; 90; 90;

COD ID: 4134185
CIF file	Formula: - C19 H22 O5 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 21 21 21 Cell volume: 1629.26 Cell parameters: 8.2617; 10.119; 19.4887; 90; 90; 90;

COD ID: 4134186
CIF file	Formula: - C25 H36 O6 Si - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 43 21 2 Cell volume: 4852.88 Cell parameters: 10.8561; 10.8561; 41.1767; 90; 90; 90;

COD ID: 4134187
CIF file	Formula: - C22 H27 Br O5 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 21 21 21 Cell volume: 1999.58 Cell parameters: 10.2109; 13.271; 14.7561; 90; 90; 90;

COD ID: 4134188
CIF file	Formula: - C26 H38 O9 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 1 21/n 1 Cell volume: 2420.16 Cell parameters: 13.6338; 11.3956; 16.6242; 90; 110.443; 90;

COD ID: 4134189
CIF file	Formula: - C22 H28 O5 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 21 21 21 Cell volume: 4017.7 Cell parameters: 7.2201; 16.362; 34.0093; 90; 90; 90;

COD ID: 4134190
CIF file	Formula: - C23 H37 N O5 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 1 Cell volume: 527.73 Cell parameters: 7.0005; 7.3078; 10.9418; 71.334; 87.561; 84.38;

COD ID: 4134191
CIF file	Formula: - C22 H28 O5 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P c a 21 Cell volume: 3630.31 Cell parameters: 14.1237; 12.3532; 20.8073; 90; 90; 90;

COD ID: 4134192
CIF file	Formula: - C28 H44 O5 Si2 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 1 21/c 1 Cell volume: 2858.35 Cell parameters: 13.5823; 10.5419; 19.9707; 90; 91.607; 90;

COD ID: 4134193
CIF file	Formula: - C14 H18 Br2 O3 - Comments: Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach. Journal of the American Chemical Society 142(8) (2020) 3675-3679 Space group: P 1 21 1 Cell volume: 1460 Cell parameters: 12.7153; 8.016; 14.8477; 90; 105.261; 90;

COD ID: 4134194
CIF file	Formula: - C30 H27 N O2 S - Comments: Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts. Journal of the American Chemical Society 142(8) (2020) 3724-3728 Space group: P 21 21 21 Cell volume: 2513.4 Cell parameters: 8.4588; 14.545; 20.429; 90; 90; 90;

COD ID: 4134195
CIF file	Formula: - C27 H30 N2 O3 S - Comments: Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts. Journal of the American Chemical Society 142(8) (2020) 3724-3728 Space group: P 21 21 21 Cell volume: 2567.7 Cell parameters: 8.6108; 16.6846; 17.8727; 90; 90; 90;

COD ID: 4134196
CIF file	Formula: - C23 H23 N O5 S2 - Comments: Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts. Journal of the American Chemical Society 142(8) (2020) 3724-3728 Space group: P 1 21 1 Cell volume: 1082.7 Cell parameters: 8.4797; 9.7632; 13.361; 90; 101.819; 90;

COD ID: 4134197
CIF file	Formula: - C37 H45 N O9 - Comments: Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N. Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors. Journal of the American Chemical Society 142(8) (2020) 4061-4069 Space group: P 1 21 1 Cell volume: 1682.47 Cell parameters: 11.04683; 9.43212; 16.266; 90; 96.9247; 90;

COD ID: 4134198

CIF file

Formula: - C12 H40 I10 N4 Pb3 -
Comments: Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages. Journal of the American Chemical Society 142(8) (2020) 4008-4021
Space group: C m c 21
Cell volume: 4188.6
Cell parameters: 52.0158; 8.9727; 8.9745; 90; 90; 90;

COD ID: 4134199

CIF file

Formula: - C12 H40 I10 N4 Pb3 -
Comments: Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages. Journal of the American Chemical Society 142(8) (2020) 4008-4021
Space group: C 1 c 1
Cell volume: 4185.8
Cell parameters: 52.169; 8.9731; 8.9417; 90; 90.073; 90;

COD ID: 4134200

CIF file

Formula: - C10 H36 I10 N4 Pb3 -
Comments: Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages. Journal of the American Chemical Society 142(8) (2020) 4008-4021
Space group: C 1 c 1
Cell volume: 4211.9
Cell parameters: 52.424; 8.9841; 8.9429; 90; 90.15; 90;

COD ID: 4134201

CIF file

Formula: - C10 H36 I10 N4 Pb3 -
Comments: Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages. Journal of the American Chemical Society 142(8) (2020) 4008-4021
Space group: C 1 c 1
Cell volume: 4156.9
Cell parameters: 52.209; 8.9061; 8.94; 90; 90.002; 90;

COD ID: 4134283

CIF file

Formula: - C132 H176 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12794.9
Cell parameters: 15.5578; 18.7553; 43.8495; 90; 90; 90;

COD ID: 4134284

CIF file

Formula: - C132 H176 Cl2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12800.7
Cell parameters: 15.5918; 18.7392; 43.8114; 90; 90; 90;

COD ID: 4134285

CIF file

Formula: - C135 H184 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12912.8
Cell parameters: 15.5129; 18.7006; 44.5116; 90; 90; 90;

COD ID: 4134286

CIF file

Formula: - C129.98 H171.96 Cl0.99 O12.5 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12760.2
Cell parameters: 15.6034; 18.747; 43.6221; 90; 90; 90;

COD ID: 4134287

CIF file

Formula: - C132 H176 Cl2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12780
Cell parameters: 15.6135; 18.7515; 43.6512; 90; 90; 90;

COD ID: 4134288

CIF file

Formula: - C133 H178 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12870.8
Cell parameters: 43.9914; 18.7402; 15.6122; 90; 90; 90;

COD ID: 4134289

CIF file

Formula: - C132 H176 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12858.2
Cell parameters: 43.9781; 18.7317; 15.60869; 90; 90; 90;

COD ID: 4134290

CIF file

Formula: - C130.76 H173.51 Cl1.38 O12.69 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12822.9
Cell parameters: 15.5569; 18.739; 43.9862; 90; 90; 90;

COD ID: 4134291

CIF file

Formula: - C132 H176 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12827.8
Cell parameters: 15.6058; 18.7366; 43.8709; 90; 90; 90;

COD ID: 4134292

CIF file

Formula: - C133 H178 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12886.3
Cell parameters: 15.6092; 18.736; 44.0628; 90; 90; 90;

COD ID: 4134293

CIF file

Formula: - C130.65 H173.29 Br1.32 O12.66 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12823.7
Cell parameters: 15.5652; 18.7578; 43.9214; 90; 90; 90;

COD ID: 4134294

CIF file

Formula: - C133 H178 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12912.3
Cell parameters: 44.1945; 18.7815; 15.5563; 90; 90; 90;

COD ID: 4134295

CIF file

Formula: - C134 H182 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12872.2
Cell parameters: 15.4103; 18.6023; 44.9029; 90; 90; 90;

COD ID: 4134296

CIF file

Formula: - C133 H178 Br2 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12924.7
Cell parameters: 15.5483; 18.7836; 44.2547; 90; 90; 90;

COD ID: 4134297

CIF file

Formula: - C130.13 H172.26 Br1.07 O12.53 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12780.3
Cell parameters: 15.6234; 18.7658; 43.5913; 90; 90; 90;

COD ID: 4134298

CIF file

Formula: - C135 H184 O13 -
Comments: Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors. Journal of the American Chemical Society 142(10) (2020) 4749-4755
Space group: P 21 21 21
Cell volume: 12935
Cell parameters: 15.5193; 18.6716; 44.6387; 90; 90; 90;

COD ID: 4134313
CIF file	Formula: - C18 H14 I N O3 - Comments: Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y. Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases. Journal of the American Chemical Society 142(11) (2020) 5221-5233 Space group: C 1 c 1 Cell volume: 1627.1 Cell parameters: 12.5544; 15.5553; 8.5423; 90; 102.753; 90;

COD ID: 4134314
CIF file	Formula: - C19 H15 I O2 - Comments: Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y. Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases. Journal of the American Chemical Society 142(11) (2020) 5221-5233 Space group: P 1 21/n 1 Cell volume: 3207.6 Cell parameters: 13.9493; 14.2632; 16.4732; 90; 101.861; 90;

COD ID: 4134364

CIF file

Formula: - C7 H15 Cl I N O -
Comments: Prusinowski, Allen F.; Twumasi, Raymond K.; Wappes, Ethan A.; Nagib, David A. Vicinal, Double C-H Functionalization of Alcohols via an Imidate Radical-Polar Crossover Cascade. Journal of the American Chemical Society 142(11) (2020) 5429-5438
Space group: P 1 21/n 1
Cell volume: 997.48
Cell parameters: 12.0579; 6.4915; 13.4589; 90; 108.766; 90;

COD ID: 4134365
CIF file	Formula: - C24 H34 O6 - Comments: Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan Bioinspired Synthesis of Nortriterpenoid Propindilactone G. Journal of the American Chemical Society 142(11) (2020) 5007-5012 Space group: P 21 21 21 Cell volume: 2196.1 Cell parameters: 5.7822; 14.207; 26.733; 90; 90; 90;

COD ID: 4134366
CIF file	Formula: - C24 H38 O7 - Comments: Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan Bioinspired Synthesis of Nortriterpenoid Propindilactone G. Journal of the American Chemical Society 142(11) (2020) 5007-5012 Space group: P 21 21 21 Cell volume: 2335.1 Cell parameters: 6.221; 18.4005; 20.3992; 90; 90; 90;

COD ID: 4134372
CIF file	Formula: - Cs Cu5 Se3 - Comments: Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance. Journal of the American Chemical Society 142(11) (2020) 5293-5303 Space group: P 42/m n m Cell volume: 712.31 Cell parameters: 13.2381; 13.2381; 4.0646; 90; 90; 90;

COD ID: 4134373
CIF file	Formula: - Cs Cu5 Se3 - Comments: Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance. Journal of the American Chemical Society 142(11) (2020) 5293-5303 Space group: P 42/m n m Cell volume: 717.46 Cell parameters: 13.2692; 13.2692; 4.0748; 90; 90; 90;

COD ID: 4134374
CIF file	Formula: - Cs Cu5 Se3 - Comments: Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance. Journal of the American Chemical Society 142(11) (2020) 5293-5303 Space group: P 42/m n m Cell volume: 705.93 Cell parameters: 13.2026; 13.2026; 4.0499; 90; 90; 90;

COD ID: 4134375

CIF file

Formula: - C12 H50 Cu6 N6 O34.47 S8 -
Comments: Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J. Synthesis of the Elusive S = 1/2 Star Structure: A Possible Quantum Spin Liquid Candidate. Journal of the American Chemical Society 142(11) (2020) 5013-5016
Space group: R -3 :H
Cell volume: 3618.2
Cell parameters: 12.723; 12.723; 25.81; 90; 90; 120;

COD ID: 4134376
CIF file	Formula: - C18 H25 F O2 - Comments: Lanke, Veeranjaneyulu; Marek, Ilan Nucleophilic Substitution at Quaternary Carbon Stereocenters. Journal of the American Chemical Society 142(12) (2020) 5543-5548 Space group: C 1 2/c 1 Cell volume: 3465.3 Cell parameters: 32.134; 5.583; 20.509; 90; 109.643; 90;

COD ID: 4134377
CIF file	Formula: - C30 H44 F2 O4 - Comments: Lanke, Veeranjaneyulu; Marek, Ilan Nucleophilic Substitution at Quaternary Carbon Stereocenters. Journal of the American Chemical Society 142(12) (2020) 5543-5548 Space group: P -1 Cell volume: 719.9 Cell parameters: 5.893; 9.976; 13.552; 108.412; 94.764; 104.611;

COD ID: 4134378

CIF file

Formula: - C168 H198 Cl4 Ge4 N16 O -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: P -1
Cell volume: 3872.2
Cell parameters: 8.8382; 15.3641; 28.9948; 92.772; 97.63; 96.14;

COD ID: 4134379

CIF file

Formula: - C41 H46 Cl4 Ge2 N4 -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: P 1 21/c 1
Cell volume: 4145.7
Cell parameters: 8.939; 17.513; 26.736; 90; 97.91; 90;

COD ID: 4134380

CIF file

Formula: - C55 H50 Cl12 Ge N4 O4 -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: P -1
Cell volume: 2914.9
Cell parameters: 9.0522; 12.8275; 25.9222; 85.175; 82.476; 78.104;

COD ID: 4134381

CIF file

Formula: - C52 H52 F5 Ge N5 -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: C 1 2/c 1
Cell volume: 9193
Cell parameters: 27.994; 8.6238; 40.445; 90; 109.698; 90;

COD ID: 4134382

CIF file

Formula: - C47 H51 Ge I N4 -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: P -1
Cell volume: 4226
Cell parameters: 11.1696; 18.5499; 22.1637; 75.451; 77.193; 74.606;

COD ID: 4134383

CIF file

Formula: - C53 H58 Ge N4 -
Comments: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I. Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity. Journal of the American Chemical Society 142(12) (2020) 5852-5861
Space group: P 1 21/n 1
Cell volume: 4683.14
Cell parameters: 13.9768; 14.7308; 22.7506; 90; 91.163; 90;

COD ID: 4134385

CIF file

Formula: - C22 H25 Br2 N O2 -
Comments: Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters. Journal of the American Chemical Society 142(12) (2020) 5627-5635
Space group: P 1 21 1
Cell volume: 3181
Cell parameters: 19.931; 5.9364; 27.721; 90; 104.107; 90;

COD ID: 4134387

CIF file

Formula: - C77 H67.5 N2.5 O4 Pr Si4 -
Comments: Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium. Journal of the American Chemical Society 142(12) (2020) 5538-5542
Space group: P c a 21
Cell volume: 13718.6
Cell parameters: 22.4784; 24.2398; 25.1777; 90; 90; 90;

COD ID: 4134388

CIF file

Formula: - C84 H84 K O7 Pr Si4 -
Comments: Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium. Journal of the American Chemical Society 142(12) (2020) 5538-5542
Space group: P -1
Cell volume: 3908.2
Cell parameters: 13.1036; 14.9076; 22.4578; 83.344; 81.037; 64.588;

COD ID: 4134389

CIF file

Formula: - C84 H198 Cl3 K3 O26 Pr2 Si10 -
Comments: Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium. Journal of the American Chemical Society 142(12) (2020) 5538-5542
Space group: C 1 2/c 1
Cell volume: 12935.4
Cell parameters: 25.6668; 15.04611; 33.6749; 90; 95.9196; 90;

COD ID: 4134390

CIF file

Formula: - C19 H23 I N -
Comments: Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts. Journal of the American Chemical Society 142(12) (2020) 5531-5537
Space group: P 1 21/n 1
Cell volume: 1719.56
Cell parameters: 13.6969; 5.6945; 22.0831; 90; 93.3; 90;

COD ID: 4134391

CIF file

Formula: - C19 H22 I N -
Comments: Cong, Xuefeng; Zhan, Gu; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin Diastereodivergent [3 + 2] Annulation of Aromatic Aldimines with Alkenes via C-H Activation by Half-Sandwich Rare-Earth Catalysts. Journal of the American Chemical Society 142(12) (2020) 5531-5537
Space group: P -1
Cell volume: 872.7
Cell parameters: 8.8516; 9.0513; 13.0251; 92.455; 108.753; 115.373;

COD ID: 4134392
CIF file	Formula: - C724 H819 B48 Cl8 F192 N97 O110 Pd24 - Comments: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition. Journal of the American Chemical Society 142(12) (2020) 5504-5508 Space group: P 1 21/n 1 Cell volume: 43697.9 Cell parameters: 35.2184; 33.427; 37.3137; 90; 95.8588; 90;

COD ID: 4134393
CIF file	Formula: - C21 H18 O6 - Comments: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition. Journal of the American Chemical Society 142(12) (2020) 5504-5508 Space group: P -1 Cell volume: 1774.1 Cell parameters: 10.02; 11.554; 16.035; 74.125; 84.067; 85.833;

COD ID: 4134394
CIF file	Formula: - C713.58 H804.32 N114.89 O350.35 Pd24 - Comments: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition. Journal of the American Chemical Society 142(12) (2020) 5504-5508 Space group: I -4 2 d Cell volume: 47659 Cell parameters: 40.908; 40.908; 28.479; 90; 90; 90;

COD ID: 4134395

CIF file

Formula: - C17 H36 B N O3 -
Comments: Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K. Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters. Journal of the American Chemical Society 142(12) (2020) 5515-5520
Space group: P 1 21/c 1
Cell volume: 1927.2
Cell parameters: 9.2394; 16.054; 13.4313; 90; 104.686; 90;

COD ID: 4134396

CIF file

Formula: - C20 H33 B Cl0.74 I0.26 N O2 -
Comments: Hari, Durga Prasad; Abell, Joseph C.; Fasano, Valerio; Aggarwal, Varinder K. Ring-Expansion Induced 1,2-Metalate Rearrangements: Highly Diastereoselective Synthesis of Cyclobutyl Boronic Esters. Journal of the American Chemical Society 142(12) (2020) 5515-5520
Space group: P 1 21/c 1
Cell volume: 2186.8
Cell parameters: 16.8872; 9.0985; 14.5635; 90; 102.237; 90;

COD ID: 4134397

CIF file

Formula: - C20 H26 Cl Rh -
Comments: Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B. The Mechanism of Rhodium-Catalyzed Allylic C-H Amination. Journal of the American Chemical Society 142(12) (2020) 5842-5851
Space group: P 1 21/c 1
Cell volume: 1781.8
Cell parameters: 7.4511; 12.8249; 18.6937; 90; 94.11; 90;

COD ID: 4134398

CIF file

Formula: - C27 H34 N O2 Rh S -
Comments: Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B. The Mechanism of Rhodium-Catalyzed Allylic C-H Amination. Journal of the American Chemical Society 142(12) (2020) 5842-5851
Space group: P 1 21/n 1
Cell volume: 2486.71
Cell parameters: 9.0845; 26.7256; 10.28003; 90; 94.911; 90;

COD ID: 4134399

CIF file

Formula: - C22 H29 O2 Rh -
Comments: Harris, Robert J.; Park, Jiyong; Nelson, Taylor A. F.; Iqbal, Nafees; Salgueiro, Daniel C.; Bacsa, John; MacBeth, Cora E.; Baik, Mu-Hyun; Blakey, Simon B. The Mechanism of Rhodium-Catalyzed Allylic C-H Amination. Journal of the American Chemical Society 142(12) (2020) 5842-5851
Space group: P 1 21/c 1
Cell volume: 1921.98
Cell parameters: 7.2611; 14.6975; 18.0948; 90; 95.564; 90;

COD ID: 4134410

CIF file

Formula: - C166 H164 N24 O24 Se8 -
Comments: Rahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Jr, Julius; Yu, Yang Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces. Journal of the American Chemical Society 142(12) (2020) 5876-5883
Space group: P -1
Cell volume: 41453
Cell parameters: 23.5179; 41.767; 43.084; 84.628; 89.02; 79.679;

COD ID: 4134411
CIF file	Formula: - C12 H17 N O2 - Comments: Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation. Journal of the American Chemical Society 142(12) (2020) 5811-5818 Space group: P b c a Cell volume: 2034 Cell parameters: 10.5324; 10.3157; 18.7208; 90; 90; 90;

COD ID: 4134412

CIF file

Formula: - C24 H15 F6 N O4 -
Comments: Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp3)-H Amidation. Journal of the American Chemical Society 142(12) (2020) 5811-5818
Space group: C 1 2/c 1
Cell volume: 4186.1
Cell parameters: 60.281; 4.917; 14.155; 90; 93.84; 90;

COD ID: 4134413

CIF file

Formula: - C11 H17 N O2 -
Comments: Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp3)-H Amidation. Journal of the American Chemical Society 142(12) (2020) 5811-5818
Space group: P 1 21 1
Cell volume: 1082.2
Cell parameters: 7.0148; 11.8848; 12.981; 90; 90.395; 90;

COD ID: 4134419

CIF file

Formula: - C37 H50 B F6 N3 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: P -1
Cell volume: 1765.8
Cell parameters: 11.5551; 12.353; 13.32; 85.773; 69.85; 81.738;

COD ID: 4134420

CIF file

Formula: - C17 H19 B Br2 F6 N2 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: P 1 21/c 1
Cell volume: 2034.5
Cell parameters: 12.566; 8.2909; 20.179; 90; 104.595; 90;

COD ID: 4134421

CIF file

Formula: - C34 H38 B F6 N O2 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: C 1 2/c 1
Cell volume: 6235
Cell parameters: 24.208; 16.72; 20.187; 90; 130.261; 90;

COD ID: 4134422

CIF file

Formula: - C34 H38 B2 F12 N4 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: P -1
Cell volume: 912.4
Cell parameters: 8.849; 10.927; 10.94; 114.541; 102.1; 97.48;

COD ID: 4134423

CIF file

Formula: - C46 H50 B2 Br2 F12 N4 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: P -1
Cell volume: 2378
Cell parameters: 10.477; 11.414; 21.469; 75.85; 85.729; 72.776;

COD ID: 4134424

CIF file

Formula: - C23 H23 B F6 N2 O2 -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: P 21 21 21
Cell volume: 2287.3
Cell parameters: 8.465; 11.3157; 23.879; 90; 90; 90;

COD ID: 4134425

CIF file

Formula: - C31 H37 B Cl2 F6 N -
Comments: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene. Journal of the American Chemical Society 142(12) (2020) 5562-5567
Space group: C 1 2/c 1
Cell volume: 6148
Cell parameters: 15.8864; 9.1579; 42.8822; 90; 99.783; 90;

COD ID: 4134426

CIF file

Formula: - C16 H25 N3 O -
Comments: Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis. Journal of the American Chemical Society 142(12) (2020) 5894-5900
Space group: C 1 2 1
Cell volume: 1584.9
Cell parameters: 20.475; 7.6092; 12.4167; 90; 124.988; 90;

COD ID: 4134427

CIF file

Formula: - C15 H26 O -
Comments: Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis. Journal of the American Chemical Society 142(12) (2020) 5894-5900
Space group: P 43 21 2
Cell volume: 5439.7
Cell parameters: 16.2888; 16.2888; 20.502; 90; 90; 90;

COD ID: 4134428

CIF file

Formula: - C84 H80 F24 Fe2 N20 P4 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 × 2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: P n n 2
Cell volume: 4588.9
Cell parameters: 13.065; 29.3865; 11.9523; 90; 90; 90;

COD ID: 4134429

CIF file

Formula: - C66 H54 Cl8 Cu2 N8 O12 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 × 2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: P 1 21/c 1
Cell volume: 6637.4
Cell parameters: 21.0032; 16.044; 21.1775; 90; 111.551; 90;

COD ID: 4134430

CIF file

Formula: - C258 H226 B4 Cu4 N16 O8 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: C 1 2/c 1
Cell volume: 21290.1
Cell parameters: 24.5777; 25.8125; 35.2575; 90; 107.858; 90;

COD ID: 4134431

CIF file

Formula: - C144 H108 B6 F24 N28 Zn4 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: I -4 2 d
Cell volume: 17580.5
Cell parameters: 20.5323; 20.5323; 41.7019; 90; 90; 90;

COD ID: 4134432
CIF file	Formula: - C17 H21 N O3 S - Comments: Uwamori, Masahiro; Osada, Ryunosuke; Sugiyama, Ryoji; Nagatani, Kotaro; Nakada, Masahisa Enantioselective Total Synthesis of Cotylenin A. Journal of the American Chemical Society 142(12) (2020) 5556-5561 Space group: P 1 21 1 Cell volume: 816.42 Cell parameters: 9.5366; 5.7321; 14.9406; 90; 91.557; 90;

COD ID: 4134433

CIF file

Formula: - C40 H56 Au N3 O -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P 1 21/n 1
Cell volume: 4029.7
Cell parameters: 13.025; 17.695; 17.75; 90; 99.93; 90;

COD ID: 4134434

CIF file

Formula: - C36 H45 Au N2 O2 -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P 1 21/c 1
Cell volume: 3278.9
Cell parameters: 10.1743; 17.827; 18.078; 90; 90.286; 90;

COD ID: 4134435

CIF file

Formula: - C48 H54 Au N3 O -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P -1
Cell volume: 4151.2
Cell parameters: 11.072; 15.898; 24.215; 90.721; 94.132; 102.353;

COD ID: 4134436

CIF file

Formula: - C44 H60 Au N3 O -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P 1 21/c 1
Cell volume: 4362
Cell parameters: 16.597; 14.75; 18.101; 90; 100.144; 90;

COD ID: 4134437

CIF file

Formula: - C48 H52 Au N3 O2 -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P -1
Cell volume: 2000
Cell parameters: 11.018; 14.238; 14.308; 113.992; 98.581; 95.042;

COD ID: 4134438

CIF file

Formula: - C48 H54 Au N3 O2 -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P -1
Cell volume: 2426.2
Cell parameters: 11.38; 14.959; 15.152; 98.414; 102.154; 101.174;

COD ID: 4134439

CIF file

Formula: - C38 H52 Au N3 O -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: C 1 2/c 1
Cell volume: 3485.6
Cell parameters: 11.264; 23.609; 13.2861; 90; 99.42; 90;

COD ID: 4134440

CIF file

Formula: - C36 H47 Au N2 O -
Comments: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. Journal of the American Chemical Society 142(13) (2020) 6158-6172
Space group: P 1 21/c 1
Cell volume: 3238.5
Cell parameters: 10.233; 17.846; 17.766; 90; 93.463; 90;

COD ID: 4134441

CIF file

Formula: - C14 H24 N6 O10 -
Comments: Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside. Journal of the American Chemical Society 142(13) (2020) 5996-6000
Space group: P 21 21 21
Cell volume: 1869.19
Cell parameters: 7.78; 8.1061; 29.6389; 90; 90; 90;

COD ID: 4134442

CIF file

Formula: - C71 H88 Cl N O12 -
Comments: Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes. Journal of the American Chemical Society 142(13) (2020) 6360-6364
Space group: C 1 2/c 1
Cell volume: 7471.5
Cell parameters: 26.798; 12.5063; 25.5113; 90; 119.089; 90;

COD ID: 4134443

CIF file

Formula: - C76 H92 Cl2 N2 O12 -
Comments: Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes. Journal of the American Chemical Society 142(13) (2020) 6360-6364
Space group: C 1 2/c 1
Cell volume: 7472.4
Cell parameters: 26.5236; 12.5602; 25.6641; 90; 119.075; 90;

COD ID: 4134444

CIF file

Formula: - C299 H316 Br48 Cl7 N7 O49 -
Comments: Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes. Journal of the American Chemical Society 142(13) (2020) 6360-6364
Space group: P -1
Cell volume: 8130.3
Cell parameters: 13.847; 23.25; 25.631; 80.16; 90.001; 90.001;

COD ID: 4134445

CIF file

Formula: - C71 H76 Br12 Cl N O12 -
Comments: Sheng, Xinru; Li, Errui; Zhou, Yujuan; Zhao, Run; Zhu, Weijie; Huang, Feihe Separation of 2-Chloropyridine/3-Chloropyridine by Nonporous Adaptive Crystals of Pillararenes with Different Substituents and Cavity Sizes. Journal of the American Chemical Society 142(13) (2020) 6360-6364
Space group: P -1
Cell volume: 2108
Cell parameters: 13.3514; 13.3868; 13.8133; 117.91; 100.421; 94.45;

COD ID: 4134447

CIF file

Formula: - C62 H60 Li O2 P3 Ru -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 2559.55
Cell parameters: 12.3452; 12.739; 18.1766; 85.899; 89.229; 63.881;

COD ID: 4134448

CIF file

Formula: - C88 H94 Li O8 P3 Ru -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 3764.44
Cell parameters: 14.8201; 16.2071; 17.1082; 94.116; 93.148; 112.751;

COD ID: 4134449

CIF file

Formula: - C63 H63 Mg O2 P3 Ru -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: C 1 2/c 1
Cell volume: 10822.6
Cell parameters: 41.0356; 13.7554; 19.4148; 90; 99.045; 90;

COD ID: 4134450

CIF file

Formula: - C67 H71 O3 P3 Ru Zn -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 2855.31
Cell parameters: 12.3478; 12.6936; 20.7422; 78.102; 81.745; 64.053;

COD ID: 4134451

CIF file

Formula: - C66.65 H69.95 Cl0.35 O3 P3 Ru Zn -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 2858.8
Cell parameters: 12.3741; 12.7084; 20.744; 78.007; 81.63; 63.847;

COD ID: 4134452

CIF file

Formula: - C55 H47 P3 Ru Zn -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 2241.67
Cell parameters: 11.2221; 13.0503; 16.6725; 85.312; 73.891; 72.861;

COD ID: 4134453

CIF file

Formula: - C88 H62 B F24 P3 Ru Zn2 -
Comments: Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. Journal of the American Chemical Society 142(13) (2020) 6340-6349
Space group: P -1
Cell volume: 4131
Cell parameters: 13.4442; 17.6572; 18.2564; 90.385; 99.08; 104.878;

COD ID: 4134454

CIF file

Formula: - C18 H11 F10 N2 O0.5 Pd -
Comments: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B. Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process. Journal of the American Chemical Society 142(13) (2020) 6036-6050
Space group: P n n a
Cell volume: 1905.3
Cell parameters: 8.612; 14.566; 15.189; 90; 90; 90;

COD ID: 4134455

CIF file

Formula: - C12 H4 F6 -
Comments: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B. Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process. Journal of the American Chemical Society 142(13) (2020) 6036-6050
Space group: F d d 2
Cell volume: 1941.51
Cell parameters: 40.0791; 13.0995; 3.698; 90; 90; 90;

COD ID: 4134456

CIF file

Formula: - C16 H12 F4 N2 Pd -
Comments: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B. Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process. Journal of the American Chemical Society 142(13) (2020) 6036-6050
Space group: P 1 21 1
Cell volume: 792.12
Cell parameters: 9.1923; 8.9775; 9.5988; 90; 90.225; 90;

COD ID: 4134457

CIF file

Formula: - C12 H2 F8 -
Comments: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B. Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process. Journal of the American Chemical Society 142(13) (2020) 6036-6050
Space group: P b c a
Cell volume: 2050.9
Cell parameters: 10.994; 8.897; 20.967; 90; 90; 90;

COD ID: 4134458

CIF file

Formula: - C16 H10 F6 N2 Pd -
Comments: Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B. Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process. Journal of the American Chemical Society 142(13) (2020) 6036-6050
Space group: P 1 21/n 1
Cell volume: 3244.1
Cell parameters: 9.55; 17.778; 19.108; 90; 90.415; 90;

COD ID: 4134460

CIF file

Formula: - C4 H11 Cl3 F N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1010.26
Cell parameters: 7.2242; 8.8678; 15.7698; 90; 90; 90;

COD ID: 4134461

CIF file

Formula: - C4 H11 Cl3 F N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 981.32
Cell parameters: 7.1947; 8.718; 15.6452; 90; 90; 90;

COD ID: 4134462

CIF file

Formula: - C4 H11 Br Cl3 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1130.46
Cell parameters: 7.1748; 9.1116; 17.2922; 90; 90; 90;

COD ID: 4134463

CIF file

Formula: - C4 H11 Cl3 I N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1162.63
Cell parameters: 7.174; 9.1468; 17.7179; 90; 90; 90;

COD ID: 4134464

CIF file

Formula: - C8 H22 Cl8 N2 Zn2 -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P n a 21
Cell volume: 2110.68
Cell parameters: 28.8906; 7.1178; 10.2641; 90; 90; 90;

COD ID: 4134465

CIF file

Formula: - C4 H11 Cl4 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m n 21
Cell volume: 1087.01
Cell parameters: 7.1698; 14.6397; 10.3561; 90; 90; 90;

COD ID: 4134466

CIF file

Formula: - C4 H12 Cl3 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 990.39
Cell parameters: 7.2453; 8.8632; 15.4226; 90; 90; 90;

COD ID: 4134467

CIF file

Formula: - C19 H21 N O -
Comments: Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K. Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes. Journal of the American Chemical Society 142(13) (2020) 6206-6215
Space group: P 1 21 1
Cell volume: 752.7
Cell parameters: 6.2036; 8.1137; 15.041; 90; 96.162; 90;

COD ID: 4134468

CIF file

Formula: - C11 H9 Cl S -
Comments: Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K. Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes. Journal of the American Chemical Society 142(13) (2020) 6206-6215
Space group: P 1 21 1
Cell volume: 490.83
Cell parameters: 8.353; 5.8263; 10.678; 90; 109.178; 90;

COD ID: 4134469

CIF file

Formula: - C15 H13 Cl -
Comments: Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K. Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes. Journal of the American Chemical Society 142(13) (2020) 6206-6215
Space group: C 1 c 1
Cell volume: 1153.1
Cell parameters: 23.636; 7.7229; 6.3397; 90; 94.829; 90;

COD ID: 4134470

CIF file

Formula: - F H8 N2 O3 P -
Comments: Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. Journal of the American Chemical Society 142(13) (2020) 6423-6431
Space group: P n a 21
Cell volume: 543.26
Cell parameters: 7.9411; 11.3394; 6.033; 90; 90; 90;

COD ID: 4134471

CIF file

Formula: - F H8 N2 O3 P -
Comments: Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. Journal of the American Chemical Society 142(13) (2020) 6423-6431
Space group: P n a 21
Cell volume: 542.29
Cell parameters: 7.9344; 11.3381; 6.0281; 90; 90; 90;

COD ID: 4134472

CIF file

Formula: - F H8 N2 O3 P -
Comments: Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. Journal of the American Chemical Society 142(13) (2020) 6423-6431
Space group: P n a 21
Cell volume: 541.63
Cell parameters: 7.9296; 11.3383; 6.0243; 90; 90; 90;

COD ID: 4134473

CIF file

Formula: - F H8 N2 O3 P -
Comments: Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. Journal of the American Chemical Society 142(13) (2020) 6423-6431
Space group: P n a 21
Cell volume: 541.62
Cell parameters: 7.9292; 11.3401; 6.0235; 90; 90; 90;

COD ID: 4134474

CIF file

Formula: - F H8 N2 O3 P -
Comments: Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc. Journal of the American Chemical Society 142(13) (2020) 6423-6431
Space group: P 1 21/n 1
Cell volume: 535.63
Cell parameters: 6.0598; 7.8788; 11.2274; 90; 92.234; 90;

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