Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1552760 | CIF | C148 H194 Ag44 O84 S38 V10 | P -1 | 19.9658; 20.2722; 20.4027 60.809; 70.785; 78.996 | 6803 | Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale, 2019, 11, 10927-10931 |
| 1552761 | CIF | C48 H120 Ag44 Cl12 Mo6 O19 S27 | F m -3 c | 32.558; 32.558; 32.558 90; 90; 90 | 34512 | Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale, 2019, 11, 10927-10931 |
| 1552762 | CIF | C137 H190 Ag46 O76 S38 V10 | C 1 m 1 | 25.751; 30.6808; 19.5302 90; 126.577; 90 | 12391.3 | Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale, 2019, 11, 10927-10931 |
| 1552763 | CIF | C33 H28 O4 S4 | I 41/a :2 | 20.2681; 20.2681; 7.1102 90; 90; 90 | 2920.8 | Šebera, Jakub; Lindner, Marcin; Gasior, Jindřich; Mészáros, Gábor; Fuhr, Olaf; Mayor, Marcel; Valášek, Michal; Kolivoška, Viliam; Hromadová, Magdaléna Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design. Nanoscale, 2019, 11, 12959-12964 |
| 1552764 | CIF | C58 H57 B2 F8 N3 O P2 Pd | P 21 21 21 | 10.649; 14.86; 32.973 90; 90; 90 | 5218 | Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR. Analytical chemistry, 2019 |
| 1552765 | CIF | C66 H55 B Cl2 F4 N O P2 Pd | P 21 21 21 | 10.9362; 20.2513; 27.0124 90; 90; 90 | 5982.5 | Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR. Analytical chemistry, 2019 |
| 1552766 | CIF | C28 H22 N3 P | R 3 :H | 34.841; 34.841; 5.566 90; 90; 120 | 5851.3 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552767 | CIF | C19 H17 N3 O P | P 21 21 21 | 9.0625; 10.9721; 18.2236 90; 90; 90 | 1812.1 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552768 | CIF | C19 H23 O3 P | P 1 21 1 | 8.3114; 10.1411; 10.8128 90; 107.963; 90 | 866.95 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552769 | CIF | C24 H32 N O2 P S | P 1 21 1 | 6.0745; 19.8094; 9.9683 90; 98.06; 90 | 1187.66 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552770 | CIF | C16 H18 Au Cl3 P | P -1 | 8.6866; 10.7017; 11.1556 72.428; 86.595; 70.591 | 931.5 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552771 | CIF | C36 H33 Cl N3 O3 P | P 1 21 1 | 14.421; 7.7894; 16.028 90; 114.539; 90 | 1637.8 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552772 | CIF | C15 H13 O P | P 21 21 21 | 7.6851; 12.5057; 13.9472 90; 90; 90 | 1340.43 | Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106 |
| 1552773 | CIF | C10 H8 Ca Cu O11 | C 1 2/c 1 | 14.1365; 13.2077; 8.8865 90; 126.365; 90 | 1336.1 | MENG, Gaoxiang; LI, Qiang; YANG, Yongming Crystal Structure of Catena-((μ<sub>8</sub>-benzene-1,2,4,5-tetracarboxylato)-triaqua-calcium(II)-copper(II)) X-ray Structure Analysis Online, 2019, 35, 49 |
| 1552774 | CIF | C8 H20 Cl N S2 | P c c n | 25.0091; 5.39364; 9.37759 90; 90; 90 | 1264.94 | TOYAMA, Mari; CHAYAMA, Kenji Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride X-ray Structure Analysis Online, 2019, 35, 55 |
| 1552775 | CIF | C18 H12 N4 O2 | P 1 21/c 1 | 24.879; 6.868; 26.068 90; 110.49; 90 | 4172.4 | GUILLON, Jean; PEREIRA-ROSENFELD, Maria De Fatima; PINAUD, Noël; BESSON, Thierry; THIÉRY, Valérie; PICOT, Laurent; MARCHIVIE, Mathieu Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione X-ray Structure Analysis Online, 2019, 35, 57 |
| 1552776 | CIF | C54 H36 Ag6 N6 S6 | P -1 | 8.064; 13.48; 13.573 113.528; 104.24; 100.46 | 1244.5 | OZAWA, Yoshiki; MASUNAGA, Azusa; KUBO, Masahiro; YASUDA, Nobuhiro; TORIUMI, Koshiro Crystal Structure of Hexakis(quinoline-2-thiolatosilver(I)) X-ray Structure Analysis Online, 2019, 35, 51 |
| 1552777 | CIF | C28 H28 Cl2 N4 Pt | P 1 21/c 1 | 11.2466; 17.3553; 13.7027 90; 100.501; 90 | 2629.8 | KIWADA, Tatsuto; TAKAYAMA, Hiroshi; KATAKASU, Hiromu; ODANI, Akira Crystal Structure of [<i>N</i>-(9-Anthracenylmethyl)-1,3-propanediamine](2,2′-bipyridine)platinum(II) Chloride X-ray Structure Analysis Online, 2019, 35, 39 |
| 1552778 | CIF | C57 H58 B2 Co2 F10 N8 O2 | C 1 2/c 1 | 24.96; 11.1533; 20.0575 90; 109.439; 90 | 5265.4 | MIBU, Takuto; SUENAGA, Yusaku; OKUBO, Takashi; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi Crystal Structure of a Dinuclear Co Complex with Doubly Bridged Fluorides: Di-μ-fluoride Bis{(2-pyridylmethyl)bis(2-quinolylmethyl)amine} Dicobalt(II) Bis(tetrafluoroborate), [Co<sub>2</sub>(μ-F)<sub>2</sub>(pbqa)<sub>2</sub>](BF<sub>4</sub>)<sub>2</sub> X-ray Structure Analysis Online, 2019, 35, 61 |
| 1552779 | CIF | C10 H29 Cl2 Co N5 O S | P -1 | 8.279; 10.673; 10.696 64.7; 95.76; 91.17 | 849.9 | KUROGI, Chika; YONEMURA, Toshiaki Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine X-ray Structure Analysis Online, 2019, 35, 43 |
| 1552780 | CIF | C17 H15 N O2 | P 1 21/a 1 | 15.29; 6.5298; 27.551 90; 105.054; 90 | 2656.3 | KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin X-ray Structure Analysis Online, 2019, 35, 47 |
| 1552781 | CIF | C40 H20 Co6 O16 P2 | P 1 21/c 1 | 10.0109; 20.861; 20.4255 90; 92.176; 90 | 4262.5 | Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species. The journal of physical chemistry. A, 2018, 122, 5004-5015 |
| 1552782 | CIF | C40 H20 Co6 O16 P2 | P 1 21/c 1 | 10.01803; 20.87369; 20.43821 90; 92.1609; 90 | 4270.86 | Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species. The journal of physical chemistry. A, 2018, 122, 5004-5015 |
| 1552783 | CIF | C54 H54 O6 | P 1 21 1 | 11.5859; 20.1144; 18.9328 90; 95.818; 90 | 4389.44 | Kosaka, Tomoyo; Iwai, Satono; Inoue, Yoshihisa; Moriuchi, Toshiyuki; Mori, Tadashi Solvent and Temperature Effects on Dynamics and Chiroptical Properties of Propeller Chirality and Toroidal Interaction of Hexaarylbenzenes. The journal of physical chemistry. A, 2018, 122, 7455-7463 |
| 1552784 | CIF | C18 H50 Cl12 Cu6 N6 O | P 21 21 21 | 13.3441; 14.6101; 20.1415 90; 90; 90 | 3926.8 | Latouche, Camille; Gautier, Romain; Génois, Romain; Massuyeau, Florian Structural and Spectroscopic Investigations of Two [Cu<sub>4</sub>X<sub>6</sub>]<sup>2-</sup> (X = Cl<sup>-</sup>, Br<sup>-</sup>) Clusters: A Joint Theoretical and Experimental Work. The journal of physical chemistry. A, 2018, 122, 4628-4634 |
| 1552785 | CIF | C4 H12 N10 O8 | P 1 21/n 1 | 6.7338; 6.9787; 13.2786 90; 94.6091; 90 | 621.99 | Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Hermann, Tobias S.; Pinkerton, A. Alan QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido-oxadiazolate) Energetic Ionic Salt at 20 K. The journal of physical chemistry. A, 2018, 122, 9676-9687 |
| 1552786 | CIF | C68 Cl16 | P -1 | 10.0815; 10.1807; 13.4349 70.5601; 68.6395; 79.8573 | 1208.6 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552787 | CIF | C68 Cl16 | P -1 | 10.093; 10.189; 13.214 102.27; 111.08; 100.52 | 1187.9 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552788 | CIF | C66 H5 Cl | P -1 | 10.1582; 19.167; 19.192 110.978; 102.503; 102.42 | 3226.1 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552789 | CIF | C65 H12 | C 1 c 1 | 9.974; 31.629; 10.014 90; 90.149; 90 | 3159.1 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552790 | CIF | C78 H18 | P 1 21/n 1 | 13.5271; 9.9838; 16.017 90; 109.108; 90 | 2043.9 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552791 | CIF | C64 H10 O | C 1 c 1 | 9.948; 31.536; 9.988 90; 90.035; 90 | 3133.4 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552792 | CIF | C64 Cl8 | C 1 2/m 1 | 16.0981; 11.4891; 10.2043 90; 102.026; 90 | 1845.9 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552793 | CIF | C67 H8 Cl2 | C 1 2/c 1 | 20.8431; 17.181; 9.9614 90; 107.503; 90 | 3402.1 | Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A, 2018, 122, 9626-9636 |
| 1552794 | CIF | C17 H32 N2 O5 | P 1 21 1 | 9.8681; 17.5; 12.2922 90; 102.706; 90 | 2070.8 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A, 2018, 122, 3665-3679 |
| 1552795 | CIF | C32 H62 N4 O8 | P 1 21 1 | 10.3122; 10.9803; 16.8121 90; 106.622; 90 | 1824.1 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A, 2018, 122, 3665-3679 |
| 1552796 | CIF | C19 H36 N2 O5 | P 21 21 21 | 5.2149; 15.0953; 27.017 90; 90; 90 | 2126.8 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A, 2018, 122, 3665-3679 |
| 1552797 | CIF | C25 H47 N3 O6 | P 1 21 1 | 10.2236; 12.3246; 12.3403 90; 109.388; 90 | 1466.7 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A, 2018, 122, 3665-3679 |
| 1552798 | CIF | C23 H43 N3 O6 | P 21 21 21 | 9.4237; 15.9868; 17.3878 90; 90; 90 | 2619.56 | Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A, 2018, 122, 3665-3679 |
| 1552799 | CIF | C8 H5 N3 | P -1 | 3.8354; 9.2168; 9.8872 104.868; 96.052; 96.718 | 332.14 | Tu, Ting-Husn; Chen, Yi-Ting; Shen, Jiun-Yi; Lin, Ta-Chun; Chou, Pi-Tai Excited-State Proton Transfer in 3-Cyano-7-azaindole: From Aqueous Solution to Ice. The journal of physical chemistry. A, 2018, 122, 2479-2484 |
| 1552800 | CIF | C17 H15 B2 N O4 | P 1 21/c 1 | 12.6209; 10.7943; 12.6367 90; 113.005; 90 | 1584.63 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Durka, Krzysztof; Woźniak, Krzysztof Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline. The journal of physical chemistry. A, 2018, 122, 4508-4520 |
| 1552801 | CIF | C16 H16 N4 O | P 1 21/c 1 | 12.8697; 9.3437; 12.2616 90; 112.405; 90 | 1363.16 | Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973 |
| 1552802 | CIF | C14 H11 N3 O2 | P 1 21/c 1 | 11.6708; 11.9674; 8.2434 90; 90.678; 90 | 1151.27 | Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973 |
| 1552803 | CIF | C16 H16 N4 O | P -1 | 13.2955; 13.5219; 16.0082 88.6723; 77.3876; 86.5291 | 2803.2 | Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973 |
| 1552804 | CIF | C76 H62 N16 O3 Si4 | P 1 21/c 1 | 12.5454; 24.231; 22.154 90; 94.923; 90 | 6709.7 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552805 | CIF | C104 H118 N16 O3 Si4 | P -1 | 13.7746; 16.2985; 21.2476 75.374; 84.152; 87.724 | 4591.1 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552806 | CIF | C80 H70 N16 O3 Si4 | C 1 2/c 1 | 26.352; 13.764; 24.745 90; 130.07; 90 | 6868 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552807 | CIF | C104 H70 Cl4 N16 O3 Si4 | C 1 2/c 1 | 18.5232; 18.343; 25.6005 90; 99.368; 90 | 8582.3 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552808 | CIF | C82 H74 N16 O3 Si4 | P 1 21/c 1 | 13.076; 23.344; 23.162 90; 90.104; 90 | 7070 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552809 | CIF | C77 H58 N16 O3 Si4 | P b c a | 17.2401; 19.3123; 41.135 90; 90; 90 | 13695.7 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552810 | CIF | C76 H62 N16 O3 Si4 | C 1 2/c 1 | 22.589; 13.581; 23.268 90; 113.211; 90 | 6560 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552811 | CIF | C88 H86 N16 O3 Si4 | P -1 | 13.7795; 22.43; 26.079 77.793; 81.704; 76.746 | 7629.3 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552812 | CIF | C74 H58 N16 O3 Si4 | C 1 2/c 1 | 14.531; 19.058; 23.065 90; 99.2; 90 | 6305 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552813 | CIF | C88 H86 N16 O3 Si4 | P 1 21/n 1 | 12.5819; 28.9066; 21.881 90; 99.664; 90 | 7845.2 | Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481 |
| 1552814 | CIF | C31 H50 Br2 O S2 | P -1 | 5.5012; 7.6825; 38.85 88.875; 89.662; 72.188 | 1562.91 | Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions Macromolecules, 2018, 51, 3874 |
| 1552815 | CIF | C19 H24 Br2 O3 S2 | P -1 | 8.322; 9.7826; 14.7863 92.707; 102.005; 114.698 | 1057.47 | Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions Macromolecules, 2018, 51, 3874 |
| 1552816 | CIF | C72 H76 F12 N4 O4 S6 Zn2 | P 1 21/n 1 | 14.1209; 17.852; 15.2027 90; 107.823; 90 | 3648.5 | Zhang, Yao-Yao; Yang, Guan-Wen; Wu, Guang-Peng A Bifunctional β-Diiminate Zinc Catalyst with CO2/Epoxides Copolymerization and RAFT Polymerization Capacities for Versatile Block Copolymers Construction Macromolecules, 2018, 51, 3640 |
| 1552817 | CIF | C32 H33 Cl3 N2 O6 Pd | P -1 | 12.1018; 12.1188; 12.3413 79.358; 68.593; 84.171 | 1654.96 | Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts Macromolecules, 2018, 51, 9110 |
| 1552818 | CIF | C36 H37 Cl3 N2 O6 Pd | P 1 21/n 1 | 12.3985; 20.1081; 13.8378 90; 92.7312; 90 | 3445.99 | Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts Macromolecules, 2018, 51, 9110 |
| 1552819 | CIF | C33 H31 Cl N2 O4 Pd | P 1 21/c 1 | 11.3673; 12.5081; 20.9652 90; 103.048; 90 | 2903.94 | Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts Macromolecules, 2018, 51, 9110 |
| 1552820 | CIF | C33 H31 Cl5 N2 O2 Pd | P 1 21/c 1 | 9.908; 22.0742; 15.5558 90; 99.976; 90 | 3350.8 | Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts Macromolecules, 2018, 51, 9110 |
| 1552821 | CIF | C76.5 H87 Cl3 N8 | P 1 21/c 1 | 12.787; 23.4658; 23.0659 90; 96.736; 90 | 6873.3 | Gallagher, Nolan M.; Zhukhovitskiy, Aleksandr V.; Nguyen, Hung V.-T.; Johnson, Jeremiah A. Main-Chain Zwitterionic Supramolecular Polymers Derived fromN-Heterocyclic Carbene‒Carbodiimide (NHC‒CDI) Adducts Macromolecules, 2018, 51, 3006 |
| 1552822 | CIF | C178 H264 Cl8 O26 Y4 | I -4 c 2 | 25.8909; 25.8909; 59.13 90; 90; 90 | 39637 | Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide Macromolecules, 2018, 51, 6800 |
| 1552823 | CIF | C93 H126 O9 Y2 | R -3 c :H | 23.2; 23.2; 36.173 90; 90; 120 | 16861 | Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide Macromolecules, 2018, 51, 6800 |
| 1552824 | CIF | C22 H43 Lu N2 Si3 | P -1 | 10.4643; 11.3341; 12.5841 86.455; 89.203; 89.375 | 1489.44 | Yan, Chao; Xu, Tie-Qi; Lu, Xiao-Bing From Stereochemically Tunable Homopolymers to Stereomultiblock Copolymers: Lewis Base Regulates Stereochemistry in the Coordination Polymerization of 2-Vinylpyridine Macromolecules, 2018, 51, 2240 |
| 1552825 | CIF | C62 H38 Cl4 N2 O4 | C 1 2 1 | 35.279; 12.2498; 12.5944 90; 94.96; 90 | 5422.4 | Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission Macromolecules, 2018, 51, 7863 |
| 1552826 | CIF | C15 H18 I N3 O2 | P 1 21/n 1 | 7.084; 12.892; 18.3 90; 96.39; 90 | 1661 | Kim, Kyung-su; Cho, Hye Jin; Lee, Jookyeong; Ha, Seonggyun; Song, Sun Gu; Kim, Seunghun; Yun, Wan Soo; Kim, Seong Kyu; Huh, Joonsuk; Song, Changsik Dynamic Covalent Hydrazone Supramolecular Polymers toward Multiresponsive Self-Assembled Nanowire System Macromolecules, 2018, 51, 8278 |
| 1552827 | CIF | C47 H57 Mg N3 O2 Si2 | P 1 21/c 1 | 15.801; 13.9759; 19.829 90; 97.419; 90 | 4342.2 | Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control Macromolecules, 2018, 51, 5304 |
| 1552828 | CIF | C51 H57 Mg N3 O2 Si2 | P 21 21 21 | 11.371; 19.871; 20.675 90; 90; 90 | 4672 | Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control Macromolecules, 2018, 51, 5304 |
| 1552829 | CIF | C53.5 H61 Mg N3 O2 Si2 | C 1 2 1 | 22.132; 11.214; 19.876 90; 98.636; 90 | 4877 | Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control Macromolecules, 2018, 51, 5304 |
| 1552830 | CIF | C53.5 H61 Mg N3 O2 Si2 | C 1 2 1 | 22.162; 11.233; 19.873 90; 98.551; 90 | 4892.3 | Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control Macromolecules, 2018, 51, 5304 |
| 1552831 | CIF | C97 H140.42 N11 O20 | P -1 | 14.961; 16.55; 21.063 101.77; 92.13; 103.45 | 4946 | Xia, Danyu; Wang, Liyun; Lv, Xiaoqing; Chao, Jianbin; Wei, Xuehong; Wang, Pi Dual-Responsive [2]Pseudorotaxane On the basis of a pH-Sensitive Pillar[5]arene and Its Application in the Fabrication of Metallosupramolecular Polypseudorotaxane Macromolecules, 2018, 51, 2716 |
| 1552832 | CIF | C40 H52 O2 S4 | P 1 21/n 1 | 14.877; 12.227; 21.508 90; 105.131; 90 | 3777 | McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J. Effects of Side-Chain Topology on Aggregation of Conjugated Polymers Macromolecules, 2018, 51, 2580 |
| 1552833 | CIF | C20 H26 O2 S2 | P 1 21/c 1 | 7.5527; 9.651; 13.308 90; 101.931; 90 | 949.1 | McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J. Effects of Side-Chain Topology on Aggregation of Conjugated Polymers Macromolecules, 2018, 51, 2580 |
| 1552834 | CIF | C42 H39 P | P -1 | 9.879; 12.3423; 15.4553 104.703; 101.12; 112.177 | 1597.8 | Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P. An Addition–Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2 Macromolecules, 2018, 51, 2621 |
| 1552835 | CIF | C41 H37 P | P 1 21/n 1 | 12.623; 15.369; 16.556 90; 102.684; 90 | 3134 | Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P. An Addition–Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2 Macromolecules, 2018, 51, 2621 |
| 1552836 | CIF | C16 H12 Br2 | P -1 | 8.3044; 9.337; 9.3521 73.731; 85.809; 80.334 | 686 | Gao, Qingqing; Qiu, Zijie; Elsegood, Mark R. J.; Chen, Ming; Wang, Jianguo; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong Regio- and Stereoselective Polymerization of Diynes with Inorganic Comonomer: A Facile Strategy to Conjugated Poly(p-arylene dihalodiene)s with Processability and Postfunctionalizability Macromolecules, 2018, 51, 3497 |
| 1552837 | CIF | C26 H17 N | P 1 21/n 1 | 10.3766; 19.563; 8.672 90; 89.869; 90 | 1760.4 | Al Mousawi, Assi; Schmitt, Michael; Dumur, Frederic; Ouyang, Jiangkun; Favereau, Ludovic; Dorcet, Vincent; Vanthuyne, Nicolas; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Fouassier, Jean Pierre; Gigmes, Didier; Crassous, Jeanne; Lalevée, Jacques Visible Light Chiral Photoinitiator for Radical Polymerization and Synthesis of Polymeric Films with Strong Chiroptical Activity Macromolecules, 2018, 51, 5628 |
| 1552838 | CIF | C63 H55 Cl N2 Pd S4 | P c a 21 | 24.121; 9.6946; 25.198 90; 90; 90 | 5892.4 | Na, Yinna; Dai, Shengyu; Chen, Changle Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE) Macromolecules, 2018, 51, 4040 |
| 1552839 | CIF | C30 H33 Cl2 O6 P Pd S2 | P 1 21/c 1 | 15.7379; 13.937; 14.7041 90; 91.146; 90 | 3224.5 | Na, Yinna; Dai, Shengyu; Chen, Changle Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE) Macromolecules, 2018, 51, 4040 |
| 1552840 | CIF | C9 H6 O2 S2 | P b c a | 9.738; 7.241; 24.578 90; 90; 90 | 1733.1 | Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells Macromolecules, 2018, 52, 341 |
| 1552841 | CIF | C16 H12 O4 S3 | C 1 2 1 | 14.089; 6.7932; 10.3076 90; 124.152; 90 | 816.4 | Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells Macromolecules, 2018, 52, 341 |
| 1552842 | CIF | C9 H6 O2 S2 | P -1 | 6.052; 7.23; 10.735 72.62; 86.1; 69.463 | 419.4 | Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells Macromolecules, 2018, 52, 341 |
| 1552843 | CIF | C25 H38 O5 | P 1 21 1 | 5.9874; 16.1056; 23.4443 90; 90.04; 90 | 2260.7 | Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E. Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions. Molecular pharmaceutics, 2018, 15, 5349-5360 |
| 1552844 | CIF | C25 H38 O5 | P 1 21 1 | 6.0018; 16.139; 23.448 90; 90.032; 90 | 2271.2 | Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E. Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions. Molecular pharmaceutics, 2018, 15, 5349-5360 |
| 1552845 | CIF | C25 H38 O5 | P 21 21 21 | 6.0524; 16.3826; 23.4238 90; 90; 90 | 2322.56 | Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E. Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions. Molecular pharmaceutics, 2018, 15, 5349-5360 |
| 1552846 | CIF | C25 H38 O5 | P 21 21 21 | 6.0587; 16.4386; 23.3475 90; 90; 90 | 2325.3 | Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E. Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions. Molecular pharmaceutics, 2018, 15, 5349-5360 |
| 1552847 | CIF | C25 H38 O5 | P 21 21 21 | 6.1145; 17.2901; 22.4334 90; 90; 90 | 2371.67 | Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E. Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions. Molecular pharmaceutics, 2018, 15, 5349-5360 |
| 1552848 | CIF | C26 H25 Cl N2 O3 | P 1 21/n 1 | 7.52; 38.53; 8.44 90; 107.82; 90 | 2328.13 | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography Organic Process Research & Development, 2018, 22, 1365 |
| 1552849 | CIF | C16 H21 N O2 | P 21 21 21 | 4.99; 11.92; 22.95 90; 90; 90 | 1365.08 | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography Organic Process Research & Development, 2018, 22, 1365 |
| 1552850 | CIF | C16 H21 N O2 | P 21 21 21 | 5.045; 12.4178; 23.187 90; 90; 90 | 1452.6 | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography Organic Process Research & Development, 2018, 22, 1365 |
| 1552851 | CIF | C26 H25 Cl N2 O3 | P 1 21/n 1 | 7.627; 38.007; 8.5629 90; 108.118; 90 | 2359.1 | Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M. Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography Organic Process Research & Development, 2018, 22, 1365 |
| 1552852 | CIF | C20 H17 F2 N O3 | P 1 21 1 | 10.0671; 10.4134; 16.284 90; 97.398; 90 | 1692.89 | Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577 Organic Process Research & Development, 2018, 22, 681 |
| 1552853 | CIF | C10 H10 N2 O3 S | P -1 | 5.9578; 9.7092; 10.302 106.092; 104.979; 94.998 | 544.97 | Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones Organic Process Research & Development, 2018, 22, 1188 |
| 1552854 | CIF | C18 H7 F9 | P -1 | 7.427; 7.782; 13.74 89.382; 89.146; 68.679 | 739.7 | Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo Controllable double CF2-insertion into sp2 C–Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures Chemical Science, 2020, 11, 276-280 |
| 1552855 | CIF | C24 H32 N2 O3 S Si | I 1 2/a 1 | 14.4384; 16.0496; 20.713 90; 96.573; 90 | 4768.29 | Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395 |
| 1552856 | CIF | C38 H36 N4 O12 Rh2 S2 | I 1 2/a 1 | 17.4067; 10.6112; 22.164 90; 98.333; 90 | 4050.6 | Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395 |
| 1552857 | CIF | C43 H38 N2 O2 | P -1 | 10.5358; 12.5714; 15.0206 101.715; 107.958; 109.766 | 1672.8 | Cao, Yang; Li, Yunlong; Morrissey, Thomas; Lam, Brian; Patrick, Brian O.; Dvorak, David; Xia, Zhicheng; Kelly, Timothy L.; Berlinguette, Curtis P. Dopant-free molecular hole transport material that mediates a 20% power conversion efficiency in a perovskite solar cell Energy & Environmental Science, 2019 |
| 1552858 | CIF | C66 H54 Cl6 N4 O10 | P 1 21/c 1 | 10.8204; 35.106; 8.2849 90; 110.005; 90 | 2957.2 | Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes Polymer Chemistry, 2020, 11, 1134-1144 |
| 1552859 | CIF HKL Paper | C36 H38 Cl4 Cu2 N6 O2 | P 1 21/n 1 | 12.004; 9.7942; 17.4116 90; 107.633; 90 | 1950.9 | Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M. Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)] IUCrData, 2018, 3, x181186 |
| 1552860 | CIF HKL Paper | C34 H45 Li Mo N4 O4 P2 | P -1 | 11.7633; 12.5731; 13.7249 87.283; 75.537; 67.45 | 1812.66 | Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum IUCrData, 2018, 3, x181149 |
| 1552861 | CIF | C56 H80 Cl16 N16 O16 Zn4 | P 1 2/c 1 | 7.1661; 15.084; 19.1836 90; 103.732; 90 | 2014.35 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
| 1552862 | CIF | C14 H16 Cl4 D6 N4 O4 Zn | C 1 2/c 1 | 19.0387; 15.0913; 7.2869 90; 96.822; 90 | 2078.8 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
| 1552863 | CIF | C14 H22 Cl4 N4 O4 Zn | C 1 2/c 1 | 19.0472; 15.0384; 7.2585 90; 96.774; 90 | 2064.61 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
| 1552864 | CIF HKL Paper | C18 H30 N2 O5 | P 1 21/n 1 | 8.3495; 12.5138; 18.6631 90; 100.902; 90 | 1914.8 | Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate IUCrData, 2019, 4, x191469 |
| 1552865 | CIF HKL Paper | C12 H11 N3 O2 S | P b c a | 15.0751; 7.6891; 20.7891 90; 90; 90 | 2409.75 | Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar 2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide IUCrData, 2019, 4, x191501 |
| 1552866 | CIF | C46 H41 Au Cl N2 P3 | P 1 21/n 1 | 17.5516; 12.9246; 17.7238 90; 93.431; 90 | 4013.4 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552867 | CIF | C44 H39 Au Cl N2 P3 | P 1 21/n 1 | 10.8276; 33.9018; 11.4594 90; 113.03; 90 | 3871.21 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552868 | CIF | C47 H37 Cl2 N2 P3 | P 1 21 1 | 10.3342; 22.3144; 17.0157 90; 92.007; 90 | 3921.4 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552869 | CIF | C47 H37 Au Cl3 N2 P3 | P -1 | 12.5994; 13.2954; 13.5256 70.09; 84.549; 78.391 | 2085.9 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552870 | CIF | C28 H33 Au Cl N P2 | P 1 21/c 1 | 11.78322; 9.40736; 24.667 90; 102.482; 90 | 2669.68 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552871 | CIF | C62 H72 N2 P4 | P -1 | 10.1896; 17.4204; 17.4304 67.712; 73.191; 73.1212 | 2682.92 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552872 | CIF | C60 H45 N3 P4 | P -3 | 35.1836; 35.1836; 9.7068 90; 90; 120 | 10406.1 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552873 | CIF | C55 H51 Cl9 N2 O3 P3 Rh | P 1 21/c 1 | 11.00739; 22.02102; 24.05162 90; 102.989; 90 | 5680.79 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552874 | CIF | C45 H41 Cl2 N2 P3 | P 1 21/n 1 | 9.8538; 22.9455; 17.3019 90; 93.031; 90 | 3906.5 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552875 | CIF | C97 H92 Cl10 N4 P6 | P -1 | 10.2673; 12.11; 19.82 103.947; 99.881; 100.687 | 2289 | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology, 2019 |
| 1552876 | CIF | C39 H45 Au N4 O4 S | P -1 | 10.7063; 13.5187; 13.5554 71.713; 76.289; 70.466 | 1736.4 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552877 | CIF | C41 H52 Au Cl2 N3 | P b c a | 10.4512; 18.0543; 38.7653 90; 90; 90 | 7314.59 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552878 | CIF | C39 H47 Au N2 S | P 1 21/c 1 | 12.6173; 13.9286; 19.607 90; 108.245; 90 | 3272.5 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552879 | CIF | C45 H51 Au N2 | P 1 21/c 1 | 12.6669; 17.4884; 17.3107 90; 108.451; 90 | 3637.6 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552880 | CIF | C40 H49 Au Cl2 N2 O | P b c a | 10.0502; 17.6546; 39.3833 90; 90; 90 | 6987.9 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552881 | CIF | C79 H96 Au2 Cl2 N4 O4 S2 | P 1 21/c 1 | 21.965; 16.1816; 20.6249 90; 99.929; 90 | 7220.9 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552882 | CIF | C42 H53 Au N2 | P b c n | 34.2921; 13.9716; 17.0268 90; 90; 90 | 8157.8 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
| 1552883 | CIF | C28 H24 O2 | P -1 | 9.5034; 10.6505; 21.889 96.945; 102.069; 99.44 | 2109.4 | Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498 |
| 1552884 | CIF | C23 H20 O | I 1 2 1 | 17.3724; 5.5677; 18.8919 90; 111.661; 90 | 1698.27 | Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498 |
| 1552885 | CIF | C18 H17 N O2 | P 21 21 21 | 9.0262; 10.7097; 14.6781 90; 90; 90 | 1418.9 | Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498 |
| 1552886 | CIF | C23 H19 N O2 | P 21 21 21 | 5.5431; 17.2727; 17.7127 90; 90; 90 | 1695.89 | Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498 |
| 1552887 | CIF | C20 H13 B F2 N2 O | P -1 | 7.2247; 8.2901; 12.9787 94.973; 93.331; 98.458 | 764.01 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552888 | CIF | C10 H7 B F2 N2 O2 | P -1 | 7.1941; 8.5967; 9.1402 88.519; 70.424; 67.994 | 490.58 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552889 | CIF | C16 H11 B F2 N2 O | P 1 n 1 | 7.2084; 10.4274; 17.7519 90; 94.312; 90 | 1330.54 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552890 | CIF | C10 H7 B F2 N2 O2 | P 1 21/c 1 | 11.1853; 26.0241; 7.1318 90; 105.872; 90 | 1996.83 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552891 | CIF | C10 H7 B F2 N2 O S | P -1 | 7.3383; 11.6331; 12.4095 83.136; 79.631; 83.755 | 1030.46 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552892 | CIF | C10 H7 B F2 N2 O S | P n a 21 | 15.855; 13.112; 4.9675 90; 90; 90 | 1032.7 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1552893 | CIF | C56 H32 N6 | P -1 | 9; 19.58; 23.93 77.99; 83.67; 89.86 | 4098.6 | Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers. Chemical science, 2018, 9, 5883-5889 |
| 1552894 | CIF | C24 H8 Cl Cr4 N32 O0.94 | P m -3 m | 18.6689; 18.6689; 18.6689 90; 90; 90 | 6506.63 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552895 | CIF | C24 H8 Cl1.77 Cu5.54 N32 O0.7 | P m -3 m | 18.51977; 18.51977; 18.51977 90; 90; 90 | 6351.95 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552896 | CIF | C26.22 H8 Cl Cr4 N32 O5.38 | P m -3 m | 18.6867; 18.6867; 18.6867 90; 90; 90 | 6525.26 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552897 | CIF | C29.23 H15.77 Cl Fe4.36 N32 O7.88 | P m -3 m | 18.90048; 18.90048; 18.90048 90; 90; 90 | 6751.78 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552898 | CIF | C26.59 H15.77 Cl Fe4.36 N32 O2.59 | P m -3 m | 18.8957; 18.8957; 18.8957 90; 90; 90 | 6746.66 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552899 | CIF | C28.51 Cl Fe5.24 N32 O4.74 | P m -3 m | 18.80041; 18.80041; 18.80041 90; 90; 90 | 6645.11 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552900 | CIF | C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 | P m -3 m | 18.52951; 18.52951; 18.52951 90; 90; 90 | 6361.97 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552901 | CIF | C33.47 H15.77 Cl Fe4.36 N32 O16.34 | P m -3 m | 18.8952; 18.8952; 18.8952 90; 90; 90 | 6746.13 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552902 | CIF | C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 | P m -3 m | 18.5323; 18.5323; 18.5323 90; 90; 90 | 6364.85 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552903 | CIF | C25.75 H8 Cl Cr4 N32 O4.45 | P m -3 m | 18.7761; 18.7761; 18.7761 90; 90; 90 | 6619.4 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552904 | CIF | C31.66 H8 Cl Cr4 N32 O16.26 | P m -3 m | 18.68163; 18.68163; 18.68163 90; 90; 90 | 6519.95 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552905 | CIF | C54 H85 K N2 Ni O7 S | P -1 | 12.5636; 13.3254; 17.435 83.702; 82.251; 72.027 | 2743.9 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552906 | CIF | C61 H93 K N2 Ni O6 S2 | P -1 | 12.8138; 13.34; 20.566 80.905; 87.457; 62.801 | 3085.9 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552907 | CIF | C60 H89 K N2 Ni O8 | P 1 21/c 1 | 20.875; 11.044; 26.136 90; 101.289; 90 | 5909 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552908 | CIF | C101 H166 K2 N4 Ni2 O18 | P 1 21/n 1 | 24.849; 17.4488; 27.016 90; 115.268; 90 | 10593 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552909 | CIF | C59 H105 K N2 Ni O8 S2 | C 1 2/c 1 | 38.446; 18.5998; 18.9696 90; 112.48; 90 | 12534 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552910 | CIF | C117 H178 K2 N4 Ni2 O16 S2 | P 1 21/n 1 | 12.5942; 20.265; 22.942 90; 92.03; 90 | 5851.6 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1552911 | CIF | C17 H10 F3 N O3 S | P 21 21 21 | 5.66599; 8.61364; 31.0135 90; 90; 90 | 1513.61 | Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D. Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis. Chemical science, 2018, 9, 4909-4918 |
| 1552912 | CIF | C64 H70 B F20 Y | C 1 2/c 1 | 27.336; 11.5772; 19.4333 90; 106.049; 90 | 5910.4 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1552913 | CIF | C62 H66 B F20 Y | P 1 21/n 1 | 15.0163; 23.1163; 16.7813 90; 90.902; 90 | 5824.4 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1552914 | CIF | C58 H58 B F20 Y | P 1 21 1 | 16.538; 14.4952; 22.753 90; 90.053; 90 | 5454.4 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1552915 | CIF | C60 H62 B F20 Y | P 1 21/c 1 | 14.599; 16.737; 47.12 90; 90.253; 90 | 11513 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1552916 | CIF | C30 H26 | P -1 | 8.39; 9.828; 13.251 79.129; 87.424; 89.762 | 1071.9 | Zhu, Wen-Sai; Han, Ya-Min; An, Xiang; Weng, Jie-Na; Yu, Meng-Na; Bai, Lu-Bing; Wei, Chuan-Xin; Lin, Jin-Yi; Liu, Wei; Ou, Chang-Jin; Xie, Ling-Hai; Ding, Xue-Hua; Zhao, Jian-Feng; Xu, Chun-Xiang; Huang, Wei Highly Emissive Hierarchical Uniform Dialkylfluorene-Based Dimer Microcrystals for Ultraviolet Organic Laser The Journal of Physical Chemistry C, 2019 |
| 1552917 | CIF | C34 H31 Au Cl4 F3 N4 O3 S3 | P 21 21 2 | 18.2211; 18.9776; 11.15 90; 90; 90 | 3855.6 | Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes. Metallomics : integrated biometal science, 2020, 12, 104-113 |
| 1552918 | CIF | C220 H195 Au25 Cl2 F10.62 P10 S5 Sb2.02 | P 1 21/n 1 | 20.449; 35.9379; 31.80647 90; 91.1204; 90 | 23369.9 | Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties. Nanoscale, 2018, 10, 18969-18979 |
| 1552919 | CIF | C31 H40 Cl6 O10 | P 1 21 1 | 8.18909; 29.7457; 15.1177 90; 90.1069; 90 | 3682.52 | Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus <i>Myrothecium roridum</i>. Journal of agricultural and food chemistry, 2019, 67, 13033-13039 |
| 1552920 | CIF HKL Paper | C22 H22 O5 | P -1 | 9.9461; 12.151; 16.8171 105.006; 94.22; 104.926 | 1875.34 | Cabezas, Jorge A.; Fernandez, Cristian Saul Campos Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate IUCrData, 2019, 4, x191526 |
| 1552921 | CIF HKL Paper | C8 H7 N2 O2.5 S | I 1 2/a 1 | 16.3881; 4.6912; 22.4928 90; 97.512; 90 | 1714.4 | Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich 5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate IUCrData, 2019, 4, x191532 |
| 1552922 | CIF | C18 H13 Cl2 F2 N3 O | P 1 21/c 1 | 10.994; 19.344; 8.4094 90; 100.34; 90 | 1759.4 | Yang, Dongyan; Zhao, Bin; Fan, Zhijin; Yu, Bin; Zhang, Nailou; Li, Zhengming; Zhu, Yilin; Zhou, Jinghui; Kalinina, Tatiana A.; Glukhareva, Tatiana V. Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates. Journal of agricultural and food chemistry, 2019, 67, 13185-13194 |
| 1552923 | CIF | C30 H34 O6 | P 1 21 1 | 11.0507; 9.4788; 12.5781 90; 103.987; 90 | 1278.46 | Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao Psiguadiols A–J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava Journal of Natural Products, 2019 |
| 1552924 | CIF | C30 H34 O6 | P 1 21 1 | 6.4127; 17.8732; 22.4543 90; 90; 90 | 2573.6 | Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao Psiguadiols A–J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava Journal of Natural Products, 2019 |
| 1552925 | CIF | C30 H34 O6 | C 1 2 1 | 19.9365; 8.3642; 16.95 90; 106.413; 90 | 2711.28 | Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao Psiguadiols A–J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava Journal of Natural Products, 2019 |
| 1552926 | CIF | C94 H82 N4 O2 S4 | P -1 | 14.9009; 15.5043; 18.1199 99.309; 101.541; 108.366 | 3777.2 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552927 | CIF | C23 H20 N2 O S | P -1 | 7.7145; 10.865; 12.5062 110.002; 96.063; 104.29 | 933.52 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552928 | CIF | C66 H66 N4 O2 S2 | P -1 | 8.6679; 12.5073; 13.5784 72.096; 75.545; 88.839 | 1353.88 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552929 | CIF | C104 H109 N4 O8 S4 | P 1 21/c 1 | 15.2836; 20.0101; 29.3242 90; 89.997; 90 | 8968.1 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552930 | CIF | C100 H98 Cl6 N4 O6 S4 | P -1 | 8.6526; 16.4878; 18.0435 114.697; 103.822; 90.89 | 2251.5 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552931 | CIF | C58 H60 Cl3 N2 O2 S2 | C 1 2/c 1 | 21.1745; 35.242; 14.1841 90; 100.409; 90 | 10410.4 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552932 | CIF | C20 H18 S2 | P -1 | 8.429; 9.714; 11.076 82.096; 69.206; 76.828 | 823.92 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552933 | CIF | C27 H22 N2 O S | P 1 21/n 1 | 4.8299; 24.008; 17.9904 90; 91.295; 90 | 2085.57 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552934 | CIF | C95 H83 Cl3 N4 O2 S4 | P -1 | 8.7454; 18.872; 25.2647 87.77; 88.724; 78.001 | 4075.1 | Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072 |
| 1552935 | CIF | C15 H26 O3 | P 1 21 1 | 7.157; 9.2077; 11.239 90; 99.005; 90 | 731.52 | Yin, Xin; Liu, Yan; Pan, Juan; Ye, Hong-Liang; Sun, Yan; Zhao, Dong-Ying; Kuang, Hai-Xue; Yang, Bing-You Melongenaterpenes A–L, Vetispirane-Type Sesquiterpenoids from the Roots of Solanum melongena Journal of Natural Products, 2019 |
| 1552936 | CIF | C44 H58 N8 O13 | C 1 2 1 | 21.2554; 5.93942; 17.7277 90; 90.6651; 90 | 2237.88 | Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101 |
| 1552937 | CIF | C44 H57 N8 O13 | C 1 2 1 | 21.2; 5.9359; 17.737 90; 90.692; 90 | 2231.9 | Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101 |
| 1552938 | CIF HKL Paper | C21 H17 N3 O2 | P 1 21/n 1 | 14.013; 5.4123; 22.901 90; 93.157; 90 | 1734.2 | Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha 2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde IUCrData, 2019, 4, x191525 |
| 1552939 | CIF HKL Paper | C12 H28 In N2 Na O8 S2 | P 32 | 13.3725; 13.3725; 40.84 90; 90; 120 | 6324.7 | Yoshinari, Nobuto; Konno, Takumi Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate IUCrData, 2019, 4, x191529 |
| 1552940 | CIF HKL Paper | C69 H50 Cl2 O8 S2 | P -1 | 13.7369; 13.8077; 16.4824 78.442; 68.211; 80.216 | 2828.35 | Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G. 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate IUCrData, 2019, 4, x191394 |
| 1552941 | CIF HKL Paper | C16 H44 D4 Mo8 N4 O30 | P 1 21/n 1 | 10.139; 11.35; 17.815 90; 96.773; 90 | 2035.8 | Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L. [Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate IUCrData, 2019, 4, x191536 |
| 1552942 | CIF | C31 H51 N5 O7 | P 21 21 2 | 27.9421; 14.47187; 7.75513 90; 90; 90 | 3135.98 | Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides Journal of Natural Products, 2019 |
| 1552943 | CIF | C32 H47 N5 O4 | P 1 21 1 | 8.24073; 13.46168; 12.86894 90; 94.5223; 90 | 1423.16 | Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min Alopecuroides A–E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides Journal of Natural Products, 2019 |
| 1552944 | CIF | C30 H45 N4 O2 | P 1 | 6.0631; 9.7279; 11.3631 89.483; 87.316; 77.462 | 653.51 | Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides Journal of Natural Products, 2019 |
| 1552945 | CIF | C31 H48 N4 O3 | P 1 | 8.4347; 8.6934; 9.8006 101.982; 95.217; 96.552 | 693.518 | Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min Alopecuroides A–E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides Journal of Natural Products, 2019 |
| 1552946 | CIF | C23 H31 N O7 Si | P 1 21 1 | 10.936; 9.071; 12.562 90; 94.63; 90 | 1242.1 | Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660 |
| 1552947 | CIF | C45 H47 N4 O9 | P 1 21 1 | 8.7818; 21.1435; 10.5555 90; 92.327; 90 | 1958.3 | Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660 |
| 1552948 | CIF | C26 H12 Br2 N2 O6 | P 21 21 21 | 7.355; 12.9923; 24.5807 90; 90; 90 | 2348.9 | Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408 |
| 1552949 | CIF | C16.05 H12.45 N O5 | I 1 2 1 | 15.0405; 8.4792; 13.8431 90; 106.602; 90 | 1691.83 | Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408 |
| 1552950 | CIF | C66 H50 N2 O4 | P 1 21 1 | 15.2114; 15.0318; 22.042 90; 93.831; 90 | 5028.7 | Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems. Chemical science, 2020, 11, 567-576 |
| 1552951 | CIF | C78 H19 N O S2 | P 1 21/c 1 | 14.2115; 13.2334; 26.4184 90; 116.384; 90 | 4450.9 | Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns. Chemical science, 2020, 11, 384-388 |
| 1552952 | CIF | C18 H23 Cl2 N3 O5 | P 1 21/c 1 | 11.6895; 23.58; 7.2918 90; 94.989; 90 | 2002.3 | Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye Polymer Chemistry, 2020, 11, 695-703 |
| 1552953 | CIF | C61 H69.4 N4 O12.7 P4 | P -1 | 6.5913; 13.2499; 17.1269 97.941; 94.83; 96.958 | 1462.74 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1552954 | CIF | C48 H48 N6 O12 P4 | P -1 | 13.1137; 13.9435; 17.8162 70.854; 82.606; 77.84 | 3002.2 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1552955 | CIF | C44 H28 N4 O20 P4 S2 | P 1 21/m 1 | 8.381; 19.609; 17.205 90; 101.644; 90 | 2769.3 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1552956 | CIF | C7 H9.37 Fe O8.18 | P 31 2 1 | 8.7445; 8.7445; 10.935 90; 90; 120 | 724.1 | Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink. Analytical chemistry, 2016, 88, 5152-5158 |
| 1552957 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.7721; 14.2054; 6.1836 90; 90; 90 | 1034.07 | Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L. 3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis. Analytical chemistry, 2017, 89, 4405-4408 |
| 1552958 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.7708; 14.2037; 6.1841 90; 90; 90 | 1033.91 | Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L. 3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis. Analytical chemistry, 2017, 89, 4405-4408 |
| 1552959 | CIF | C22 H23 Eu N2 O9 | C 1 2/c 1 | 28.22; 14.54; 13.394 90; 100.684; 90 | 5401 | Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework. Analytical chemistry, 2018, 90, 6675-6682 |
| 1552960 | CIF | C22 H21 La N2 O9 | C 1 2/c 1 | 28.492; 14.539; 13.492 90; 101.87; 90 | 5469 | Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework. Analytical chemistry, 2018, 90, 6675-6682 |
| 1552961 | CIF | C22 H23 N2 O9 Tb | C 1 2/c 1 | 28.614; 14.383; 13.644 90; 97.284; 90 | 5570 | Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework. Analytical chemistry, 2018, 90, 6675-6682 |
| 1552962 | CIF | C51 H80 O38 | C 1 2 1 | 18.661; 24.3629; 15.4291 90; 110.652; 90 | 6563.9 | Suzuki, Nozomu; Kinoshita, Mariko; Miyabe, Kanji Kinetic Study of Chiral Intermolecular Interactions by Moment Analysis Based on Affinity Capillary Electrophoresis. Analytical chemistry, 2018, 90, 11048-11053 |
| 1552963 | CIF | C18 H22 Br F5 N2 | P 1 21/c 1 | 7.8536; 8.5571; 29.1438 90; 90.415; 90 | 1958.53 | Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink, János; Herrmann, Wolfgang A.; Kühn, Fritz E. Cycloaddition of CO2 and epoxides catalyzed by imidazolium bromides under mild conditions: influence of the cation on catalyst activity Catalysis Science & Technology, 2014, 4, 1749 |
| 1552964 | CIF | C21 H20 O3 | P -1 | 11.2047; 12.2098; 13.3534 97.661; 96.853; 99.139 | 1769 | Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2 Organic Chemistry Frontiers, 2014, 1, 275 |
| 1552965 | CIF | C18 H14 O3 | P -1 | 8.0584; 13.7851; 14.5897 107.134; 105.844; 103.626 | 1399.1 | Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2 Organic Chemistry Frontiers, 2014, 1, 275 |
| 1552966 | CIF | C39 H33 N5 O4 S2 | P -1 | 6.9253; 13.3435; 18.5149 88.562; 84.154; 76.656 | 1656.07 | Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions, 2014, 174, 297-312 |
| 1552967 | CIF | C39 H33 N5 O6 | P 1 21/c 1 | 21.99561; 9.3758; 31.7046 90; 106.046; 90 | 6283.59 | Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions, 2014, 174, 297-312 |
| 1552968 | CIF | C37 H27 N5 O6 | P 1 21/n 1 | 17.9367; 9.3501; 19.4676 90; 112.562; 90 | 3015.03 | Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions, 2014, 174, 297-312 |
| 1552969 | CIF | C37 H26 O4 | P 21 21 2 | 13.1215; 11.0922; 9.3453 90; 90; 90 | 1360.17 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552970 | CIF | C31 H30 N2 | P 1 21/n 1 | 14.4556; 10.033; 17.453 90; 111.716; 90 | 2351.6 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552971 | CIF | C31 H30 N2 | P b c n | 26.28; 9.4772; 9.5917 90; 90; 90 | 2388.9 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552972 | CIF | C17 H21 B Br O P | P 1 | 6.4951; 9.549; 15.501 81.333; 86.707; 74.351 | 915 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552973 | CIF | C20 H22 B Br N O P | P 21 21 21 | 6.2364; 17.7803; 18.9588 90; 90; 90 | 2102.2 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552974 | CIF | C24 H28 B O P | P 21 21 21 | 10.135; 13.483; 15.598 90; 90; 90 | 2131 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552975 | CIF | C26 H21 N O2 | P -1 | 9.7339; 10.1445; 11.2108 69.234; 70.764; 78.702 | 973.4 | Ge, Guang-Cun; Ding, Chang-Hua; Hou, Xue-Long Palladacycle-catalyzed cascade reaction of bicyclic alkenes with alkynyl imines: synthesis of polycyclic 5H-benzo[b]azepines Org. Chem. Front., 2014, 1, 382 |
| 1552976 | CIF | C28 H27 N O | P 21 21 21 | 10.1946; 10.6368; 19.8674 90; 90; 90 | 2154.38 | He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity Org. Chem. Front., 2014, 1, 473 |
| 1552977 | CIF | C16 H6 F4 N4 O2 | P 1 21/c 1 | 14.965; 8.119; 13.829 90; 116.87; 90 | 1498.8 | Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting Intramolecular C–H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers Org. Chem. Front., 2014, 1, 494 |
| 1552978 | CIF | C36 H23 F3 N4 O | P -1 | 10.327; 11.834; 23.984 79.88; 88.92; 87.48 | 2882.5 | Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting Intramolecular C–H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers Org. Chem. Front., 2014, 1, 494 |
| 1552979 | CIF | C17 H17 F3 N2 O3 S | P 1 21/c 1 | 13.555; 8.9872; 15.716 90; 112.99; 90 | 1762.5 | Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front., 2014, 1, 657 |
| 1552980 | CIF | C16 H13 F3 N2 O | P 1 21/c 1 | 9.805; 9.3144; 15.513 90; 97.91; 90 | 1403.3 | Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front., 2014, 1, 657 |
| 1552981 | CIF | C34 H29 F6 Ir N5 P | P 1 21/c 1 | 13.828; 16.821; 15.516 90; 90.367; 90 | 3609 | Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions Organic Chemistry Frontiers, 2014, 1, 639 |
| 1552982 | CIF | C30 H27 F6 Ir N7 P | P 1 21/c 1 | 9.3281; 15.4516; 23.6282 90; 92.742; 90 | 3401.7 | Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions Organic Chemistry Frontiers, 2014, 1, 639 |
| 1552983 | CIF | C36 H48 F6 N O10 P | P -1 | 11.986; 12.2786; 16.2211 103.393; 110.555; 92.801 | 2152.2 | Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A. Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes Org. Chem. Front., 2014, 1, 532 |
| 1552984 | CIF | C39 H46 F6 N O10 P | P 1 21/c 1 | 10.4663; 42.4866; 25.4339 90; 113.902; 90 | 10339.9 | Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A. Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes Org. Chem. Front., 2014, 1, 532 |
| 1552985 | CIF | C46 H73 Br N2 O | P 1 21/n 1 | 9.3761; 13.3939; 16.9447 90; 101.929; 90 | 2082 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552986 | CIF | C46 H70 Br6 N2 | C 1 2/c 1 | 14.2658; 19.7423; 17.2861 90; 104.823; 90 | 4706.4 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552987 | CIF | C46 H70 N2 | P -1 | 9.5494; 12.1924; 17.6614 86.558; 84.548; 76.62 | 1989.92 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552988 | CIF | C76 H88 I N7 O6 | P 1 21 1 | 17.0807; 9.587; 20.1987 90; 93.695; 90 | 3300.72 | Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A. Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes Org. Chem. Front., 2014, 1, 521 |
| 1552989 | CIF | C27 H27 N O4 | P 21 21 21 | 10.3015; 11.2459; 19.9126 90; 90; 90 | 2306.87 | Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun Trienamine catalysis with linear deconjugated 3,5-dienones Org. Chem. Front., 2014, 1, 490 |
| 1552990 | CIF | C83 H34 Cl6 N2 O6 | P -1 | 10.2605; 16.8131; 17.3175 101.471; 103.442; 99.53 | 2776.4 | Xu, Liang; Liang, Sisi; Gan, Liangbing A green fullerene derivative as a fluoride ion sensor Organic Chemistry Frontiers, 2014, 1, 652 |
| 1552991 | CIF | C28 H21 N O2 | P 1 21/n 1 | 13.6381; 10.0676; 15.0801 90; 91.542; 90 | 2069.8 | Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones Org. Chem. Front., 2014, 1, 707 |
| 1552992 | CIF | C26 H19 N O | P -1 | 8.8997; 9.2955; 11.9387 79.341; 78.262; 83.259 | 947 | Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones Org. Chem. Front., 2014, 1, 707 |
| 1552993 | CIF | C17 H11 Cl F N O3 | P 21 21 21 | 6.6455; 14.068; 15.4102 90; 90; 90 | 1440.68 | Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins Organic Chemistry Frontiers, 2014, 1, 742 |
| 1552994 | CIF | C17 H14 F N O3 | P 1 21 1 | 8.1719; 6.8476; 12.493 90; 97.076; 90 | 693.8 | Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins Organic Chemistry Frontiers, 2014, 1, 742 |
| 1552995 | CIF | C32 H24 O3 | C 1 c 1 | 5.5702; 24.243; 17.573 90; 93.744; 90 | 2368 | Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front., 2014, 1, 759 |
| 1552996 | CIF | C31 H22 O | P 1 21/c 1 | 11.2685; 9.1961; 20.509 90; 92.368; 90 | 2123.5 | Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front., 2014, 1, 759 |
| 1552997 | CIF | C23 H18 O | P 21 21 21 | 6.1046; 15.4141; 17.5871 90; 90; 90 | 1654.9 | Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions Org. Chem. Front., 2014, 1, 965 |
| 1552998 | CIF | C34 H23 O3 P | P 21 21 21 | 8.4091; 12.2759; 24.544 90; 90; 90 | 2533.7 | Yu, Yue-Na; Xu, Ming-Hua Design of a new series of chiral phosphite–olefin ligands and their application in asymmetric catalysis Organic Chemistry Frontiers, 2014, 1, 738 |
| 1552999 | CIF | C24 H48 Cl6 O9 Ti3 | P -1 | 10.354; 10.811; 18.781 77.136; 88.021; 64.81 | 1850.3 | Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism Org. Chem. Front., 2014, 1, 929 |
| 1553000 | CIF | C30 H44 Cl6 O6 Ti2 | P b c a | 13.085; 12.063; 23.777 90; 90; 90 | 3753 | Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism Org. Chem. Front., 2014, 1, 929 |
| 1553001 | CIF | C27 H31 N O3 Se | P 21 21 21 | 7.2517; 14.3878; 24.292 90; 90; 90 | 2534.53 | Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control Org. Chem. Front., 2014, 1, 974 |
| 1553002 | CIF | C6 H9 N O2 | P 21 21 21 | 4.3822; 7.7125; 19.0393 90; 90; 90 | 643.48 | Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control Org. Chem. Front., 2014, 1, 974 |
| 1553003 | CIF | C62 H54 B Cl8 F4 N O P2 Ru | P -1 | 12.818; 14.788; 16.847 72.67; 86.64; 84.12 | 3031.1 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553004 | CIF | C58 H54 B Cl10 F4 N O P2 Ru | P -1 | 13.1474; 13.1912; 20.2329 80.722; 87.504; 63.196 | 3089.3 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553005 | CIF | C51 H46 B Cl4 F4 N O P2 Ru | P 1 21/n 1 | 13.0587; 25.8151; 14.6635 90; 95.876; 90 | 4917.3 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553006 | CIF | C49.5 H45 B Cl5 F4 N O P2 Ru | P 1 2/c 1 | 23.3968; 10.7057; 19.1358 90; 90.758; 90 | 4792.7 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553007 | CIF | C17 H18 N2 O | P 21 21 21 | 5.1955; 8.5856; 32.9171 90; 90; 90 | 1468.32 | Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines Organic Chemistry Frontiers, 2014, 1, 812 |
| 1553008 | CIF | C26 H31 N3 O5 | P -1 | 6.7701; 11.166; 17.891 74.17; 82.524; 85.51 | 1288.8 | Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates Org. Chem. Front., 2014, 1, 914 |
| 1553009 | CIF | C22 H18 Br2 O4 | P -1 | 5.9442; 6.7813; 13.014 91.341; 92.608; 105.719 | 504.1 | Tian, Bing; Liu, Qiang; Tong, Xiaofeng; Tian, Ping; Lin, Guo-Qiang Copper(i)-catalyzed enantioselective hydroboration of cyclopropenes: facile synthesis of optically active cyclopropylboronates Org. Chem. Front., 2014, 1, 1116 |
| 1553010 | CIF | C37 H27 Br N2 O2 S | P -1 | 10.3013; 13.0206; 13.9427 117.359; 105.117; 95.85 | 1548.9 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553011 | CIF | C31 H44 N2 O Si2 | P 1 21/c 1 | 12.32; 12.6141; 21.9831 90; 93.771; 90 | 3408.9 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553012 | CIF | C14 H10 N2 | P b c a | 11.876; 7.462; 24.973 90; 90; 90 | 2213.1 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553013 | CIF | C33 H47 Br N2 O3 Si2 | P -1 | 12.938; 17.204; 18.135 82.713; 85.701; 70.712 | 3777 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553014 | CIF | C33 H35 Br N2 O2 S | P 1 21/n 1 | 13.9802; 13.6497; 16.6352 90; 104.443; 90 | 3074.1 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553015 | CIF | C28 H24 N2 O2 | P -1 | 9.4812; 10.0987; 13.636 74.849; 80.124; 67.332 | 1159.2 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553016 | CIF | C19 H15 Br F3 N O4 | P 1 21/c 1 | 24.855; 9.629; 15.692 90; 96.85; 90 | 3728.7 | Sang, Rui; Tang, Xiang-Ying; Shi, Min Ozonation of methylenecyclopropanes Org. Chem. Front., 2014, 1, 770 |
| 1553017 | CIF | C19 H21 N O4 | P 21 21 21 | 8.8435; 13.8908; 14.179 90; 90; 90 | 1741.8 | Ma, Dengke; Dai, Jianxin; Qiu, Youai; Fu, Chunling; Ma, Shengming Gram scale synthesis of 7-methoxy-O-methylmukonal, clausine-O, clausine-K, clausine-H, 7-methoxymukonal, and methyl 2-hydroxy-7-methoxy-9H-carbazole-3-carboxylate Organic Chemistry Frontiers, 2014, 1, 782 |
| 1553018 | CIF | C22 H21 N2 O5 | P 1 21 1 | 10.1723; 19.9258; 10.4443 90; 90.467; 90 | 2116.9 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553019 | CIF | C32 H25 N6 O8 S2 | I -4 | 21.9204; 21.9204; 14.1057 90; 90; 90 | 6777.8 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553020 | CIF | C34 H28 Cl4 N6 O8 S2 | P -1 | 11.2563; 13.065; 14.4176 87.383; 69.786; 66.908 | 1820.34 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553021 | CIF | C42 H48 Cl Fe N4 | P 1 21 1 | 10.723; 13.108; 13.974 90; 100.869; 90 | 1929 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553022 | CIF | C41 H55 Cl Fe N3 | P 1 21/n 1 | 9.3521; 23.226; 17.0545 90; 97.944; 90 | 3668.9 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553023 | CIF | C40 H62 Cl Fe N2 | P 1 21/c 1 | 11.2282; 19.506; 16.892 90; 97.31; 90 | 3669.6 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553024 | CIF | C76 H84 B F24 Fe N2 O | P -1 | 12.8079; 13.0473; 25.151 93.467; 102.677; 109.051 | 3835.9 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553025 | CIF | C32 H33 N5 O2 S | P -1 | 9.91; 12.6331; 13.0734 90.23; 111.217; 111.642 | 1400.25 | Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour Org. Chem. Front., 2014, 1, 1083 |
| 1553026 | CIF | C27 H30 B O2 P | P 1 21/c 1 | 6.9068; 34.826; 20.4959 90; 96.227; 90 | 4900.9 | Wei, Junnian; Zhang, Yongliang; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis and applications of 1-iodo-4-MgCl-1,3-dienes and 1-iodovinyl phenylmagnesium chlorides Org. Chem. Front., 2014, 1, 983 |
| 1553027 | CIF | C22 H18 F3 N O | P 1 21/c 1 | 9.398; 10.644; 18.906 90; 100.921; 90 | 1857 | Zhang, Li; Wang, Huiqing; Yang, Bo; Fan, Renhua Imino exchange reaction in a dearomatization strategy: synthesis of N-acyl diarylamines and phenothiazines from two anilines Org. Chem. Front., 2014, 1, 1055 |
| 1553028 | CIF | C33 H30 F3 N3 O5 S | P -1 | 8.012; 13.115; 15.516 102.467; 104.463; 98.556 | 1505.6 | Lei, Chuan-Hu; Zhao, Liang; Wang, De-Xian; Zhu, Jieping; Wang, Mei-Xiang Functionalized imidazoliniums from the three-component domino reaction of N-formylmethylcarboxamides with amines and isocyanides Org. Chem. Front., 2014, 1, 909 |
| 1553029 | CIF | C20 H26 Cl2 Fe N2 | P 1 21/n 1 | 9.0055; 15.94; 14.422 90; 90.178; 90 | 2070.2 | Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front., 2014, 1, 1101 |
| 1553030 | CIF | C32 H35 Cl2 Fe N2 P | P 1 21/c 1 | 12.5511; 14.2462; 17.4859 90; 98.21; 90 | 3094.5 | Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front., 2014, 1, 1101 |
| 1553031 | CIF | C29 H29 Cl2 Fe N2 P | P 1 21/c 1 | 17.631; 10.038; 16.442 90; 111.334; 90 | 2710.5 | Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front., 2014, 1, 1101 |
| 1553032 | CIF | C20 H20 N2 O | P 1 21/n 1 | 11.245; 22.954; 26.071 90; 100.618; 90 | 6614 | Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i) Org. Chem. Front., 2014, 1, 1045 |
| 1553033 | CIF | C21 H28 N4 O | P 32 | 13.204; 13.204; 11.5028 90; 90; 120 | 1736.78 | Ma, Gaoyuan; Sibi, Mukund P. Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts Org. Chem. Front., 2014, 1, 1152 |
| 1553034 | CIF | C21 H17 Br2 N O3 S | P 1 21 1 | 9.4812; 8.1107; 13.3671 90; 106.9; 90 | 983.53 | Liu, Cheng-Hang; Yu, Zhi-Xiang Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans Org. Chem. Front., 2014, 1, 1205 |
| 1553035 | CIF | C29 H30 Br Cl2 P | P 1 21/n 1 | 9.9037; 21.156; 12.948 90; 94.929; 90 | 2702.9 | Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front., 2014, 1, 1035 |
| 1553036 | CIF | C27 H26 Br O P | P 1 21/c 1 | 10.419; 12.707; 18.309 90; 103.667; 90 | 2355 | Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front., 2014, 1, 1035 |
| 1553037 | CIF | C28 H26 Br O2 P | P 1 21/n 1 | 10.9121; 17.4195; 12.67 90; 100.809; 90 | 2365.6 | Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front., 2014, 1, 1035 |
| 1553038 | CIF | C24 H19 F3 O | P -1 | 5.3668; 9.6287; 18.804 82.874; 86.417; 82.471 | 954.8 | Ji, Yun-Long; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng Copper-catalyzed tandem trifluoromethylation/cyclization of internal alkynes Org. Chem. Front., 2014, 1, 1280 |
| 1553039 | CIF | C44 H54 Cl2 N10 O6 Zn2 | P -1 | 13.7485; 14.2439; 16.1369 96.785; 111.858; 102.58 | 2792.4 | Xu, Hao-Ran; Li, Kun; Wang, Ming-Qi; Wang, Bo-Lin; Wang, Xin; Yu, Xiao-Qi The dicyclen‒TPE zinc complex as a novel fluorescent ensemble for nanomolar pyrophosphate sensing in 100% aqueous solution Org. Chem. Front., 2014, 1, 1276 |
| 1553040 | CIF | C27 H31 N O6 S | P 1 21 1 | 18.2388; 14.6418; 20.7375 90; 90.251; 90 | 5537.9 | Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes Organic Chemistry Frontiers, 2015, 2, 221 |
| 1553041 | CIF | C38 H42 Au Cl N O2 P | P 1 21 1 | 8.893; 20.6873; 9.7453 90; 105.318; 90 | 1729.17 | Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes Organic Chemistry Frontiers, 2015, 2, 221 |
| 1553042 | CIF | C92 H98 N8 | P n n 2 | 15.865; 16.43; 14.961 90; 90; 90 | 3899.8 | Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko Chiroptical sensing of oligonucleotides with a cyclic octapyrrole Organic Chemistry Frontiers, 2015, 2, 29 |
| 1553043 | CIF | C20 H20 N2 O2 | P 21 21 21 | 10.255; 10.8108; 15.4763 90; 90; 90 | 1715.8 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553044 | CIF | C17 H17 F3 N2 O2 | P 1 21/c 1 | 10.5428; 16.2625; 10.8624 90; 118.846; 90 | 1631.3 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553045 | CIF | C16 H19 N3 O2 | P -1 | 8.0742; 12.4409; 17.6473 71.94; 79.009; 72.177 | 1595.4 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553046 | CIF | C44 H33 F10 Ir N11 P | P -1 | 9.5524; 13.2533; 18.9296 101.946; 101.154; 103.248 | 2208 | Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential Organic Chemistry Frontiers, 2015, 2, 141 |
| 1553047 | CIF | C34 H23 F2 Ir N8 O | P -1 | 11.0054; 14.2851; 21.789 71.698; 89.997; 67.306 | 2971.6 | Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential Organic Chemistry Frontiers, 2015, 2, 141 |
| 1553048 | CIF | C27 H33 N O3 S Si | P 1 21/c 1 | 10.8466; 23.0405; 10.6995 90; 102.658; 90 | 2608.9 | Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives Organic Chemistry Frontiers, 2015, 2, 145 |
| 1553049 | CIF | C26 H28 Cl N O3 S Si | C 1 2/c 1 | 32.673; 12.2122; 12.9554 90; 92.633; 90 | 5163.9 | Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives Organic Chemistry Frontiers, 2015, 2, 145 |
| 1553050 | CIF | C32 H53 B11 N2 | P b c a | 17.5053; 20.281; 21.1684 90; 90; 90 | 7515.3 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553051 | CIF | C32 H55 B11 N2 | P b c a | 17.474; 20.161; 21.123 90; 90; 90 | 7441.5 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553052 | CIF | C26 H43 B11 N2 | P 21 21 21 | 11.591; 15.516; 16.796 90; 90; 90 | 3020.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553053 | CIF | C41 H63 B11 N2 O | P 21 21 21 | 10.343; 18.963; 22.347 90; 90; 90 | 4383 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553054 | CIF | C33 H55 B11 N2 | P b c a | 17.5189; 20.3686; 21.3348 90; 90; 90 | 7613 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553055 | CIF | C27 H43 B11 N2 | P 1 21/n 1 | 10.2998; 16.7445; 19.7479 90; 101.979; 90 | 3331.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553056 | CIF | C39 H59 B11 N2 | P 21 21 21 | 10.4375; 19.3175; 22.8874 90; 90; 90 | 4614.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553057 | CIF | C20 H23 N3 O2 S | P 1 21/n 1 | 9.2469; 12.1137; 17.1803 90; 99.893; 90 | 1895.8 | Zhu, Tong-Hao; Wei, Tian-Qi; Wang, Shun-Yi; Ji, Shun-Jun NIS/CHP-mediated reaction of isocyanides with hydrazones: access to aminopyrazoles Organic Chemistry Frontiers, 2015, 2, 259 |
| 1553058 | CIF | C25 H25 Br N2 O7 | P 21 21 21 | 10.943; 12.564; 18.454 90; 90; 90 | 2537.2 | Sun, Qiang-Sheng; Chen, Xiao-Yang; Zhu, Hua; Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang Asymmetric synthesis of poly-substituted spirocyclohexane oxindole via a squaramide catalyzed cascade Michael–Michael–aldol sequence Organic Chemistry Frontiers, 2015, 2, 110 |
| 1553059 | CIF | C17 H18 Br N O5 | P 21 21 21 | 6.6023; 7.8736; 32.754 90; 90; 90 | 1702.7 | Li, Ying-Zi; Wang, Jie; Sun, Wang-Bin; Shan, Yi-Fan; Sun, Bing-Feng; Lin, Guo-Qiang; Zou, Jian-Ping Enantioselective synthesis of bicyclo[2.2.2]octane-1-carboxylates under metal free conditions Organic Chemistry Frontiers, 2015, 2, 274 |
| 1553060 | CIF | C12 H17 N O4 S | P 21 21 21 | 8.7741; 9.7409; 14.5365 90; 90; 90 | 1242.4 | Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L. 4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes Organic Chemistry Frontiers, 2015, 2, 206 |
| 1553061 | CIF | C8 H10 O3 | P -1 | 3.9045; 9.1939; 22.5383 88.422; 88.131; 78.161 | 791.26 | Wang, Qiang; Xu, Qin; Shi, Min Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations Organic Chemistry Frontiers, 2015, 2, 211 |
| 1553062 | CIF | C21 H19 N O3 | P -1 | 8.1086; 8.8324; 13.26 108.838; 97.636; 94.663 | 883 | Wang, Qiang; Xu, Qin; Shi, Min Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations Organic Chemistry Frontiers, 2015, 2, 211 |
| 1553063 | CIF | C77 H89 Br4 Cl3 F8 I4 N4 O8 | P 4/n c c :2 | 18.4165; 18.4165; 27.9044 90; 90; 90 | 9464.3 | Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers, 2015, 2, 340 |
| 1553064 | CIF | C72 H114 Br4 Cl2 N4 O9 | P b c a | 23.3371; 23.5232; 27.0473 90; 90; 90 | 14848 | Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers, 2015, 2, 340 |
| 1553065 | CIF | C7 H7 Cl N O2 | C 1 2/c 1 | 24.849; 4.7231; 14.8643 90; 103.467; 90 | 1696.6 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553066 | CIF | C13 H17 N O3 | P -1 | 9.9549; 11.3328; 11.8818 106.461; 101.618; 100.174 | 1219.6 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553067 | CIF | C13 H19 N O5 | P -1 | 5.3906; 15.9299; 17.3564 112.457; 97.7331; 99.3952 | 1326.85 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553068 | CIF | C15 H11 N O2 | P -1 | 7.1432; 8.4932; 10.1874 99.388; 97.577; 106.771 | 573.27 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553069 | CIF | C22 H20 N2 O4 | P 1 21/n 1 | 7.0179; 4.6365; 29.074 90; 92.757; 90 | 944.93 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553070 | CIF | C21 H21 N3 O | P 1 c 1 | 18.2723; 5.5654; 8.7266 90; 103.633; 90 | 862.43 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553071 | CIF | C23 H16 O | P 1 21 1 | 11.008; 7.5883; 19.571 90; 90.988; 90 | 1634.6 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553072 | CIF | C22 H23 N O2 | P -1 | 9.1264; 9.7169; 10.2731 95.504; 91.157; 101.221 | 888.78 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553073 | CIF | C20 H18 N4 O2 | P -1 | 5.6257; 19.7469; 23.768 79.737; 88.28; 82.746 | 2577.3 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553074 | CIF | C20 H13 N O4 | P -1 | 7.1728; 8.0196; 12.8455 84.142; 89.687; 87.901 | 734.56 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553075 | CIF | C9 H9 N7 O | P c a 21 | 9.9162; 14.8123; 7.3118 90; 90; 90 | 1073.97 | Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles Organic Chemistry Frontiers, 2015, 2, 492 |
| 1553076 | CIF | C15 H13 N O5 S | P 32 | 10.3879; 10.3879; 24.218 90; 90; 120 | 2263.2 | Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism Organic Chemistry Frontiers, 2015, 2, 398 |
| 1553077 | CIF | C48 H82 Br2 Co N4 O4 | P 1 21/c 1 | 16.0231; 19.3117; 32.4862 90; 91.744; 90 | 10047.7 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553078 | CIF | C54 H92 Br2 Co N5 O5 | P 1 21/c 1 | 10.7544; 28.8912; 18.3199 90; 97.037; 90 | 5649.3 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553079 | CIF | C32 H46 Br2 Co N3 O4 | P 1 2/n 1 | 18.491; 8.1781; 21.8017 90; 93.873; 90 | 3289.4 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553080 | CIF | C56 H82 Br2 Co N4 O4 | P 1 21/n 1 | 10.4432; 13.5068; 39.638 90; 95.944; 90 | 5561 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553081 | CIF | C33 H44 Li N O3 Si | P n a 21 | 18.7063; 11.4184; 13.9803 90; 90; 90 | 2986.1 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553082 | CIF | C42 H48 Co N P2 Si2 | P -1 | 9.28; 12.256; 18.651 98.324; 91.537; 106.636 | 2005.9 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553083 | CIF | C23 H21 B F10 N2 | P 1 21/c 1 | 19.6299; 19.4566; 12.265 90; 101.938; 90 | 4583.1 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553084 | CIF | C23 H18.711 B F10 N2 | P 1 21/n 1 | 11.5423; 12.863; 15.801 90; 93.409; 90 | 2341.8 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553085 | CIF | C29 H39 B N2 | P c c n | 16.756; 19.073; 15.93 90; 90; 90 | 5091 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553086 | CIF | C18 H25 B N2 | P 1 21 1 | 8.4021; 10.0498; 9.2882 90; 93.645; 90 | 782.7 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553087 | CIF | C13 H23 B N2 | P 1 21 1 | 9.2454; 7.0797; 9.5352 90; 100.812; 90 | 613.04 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553088 | CIF | C15 H27 B N2 | P 1 21/c 1 | 7.4085; 9.5348; 20.4481 90; 97.479; 90 | 1432.14 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553089 | CIF | C13 H21 B Cl2 N2 | P 1 21/n 1 | 8.8877; 14.4614; 10.8854 90; 91.815; 90 | 1398.38 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553090 | CIF | C37 H20 B2 Cl2 F20 N2 | P 1 c 1 | 10.6012; 10.7318; 16.8601 90; 105.327; 90 | 1849.9 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553091 | CIF | C11 H24 B P | P 1 21/c 1 | 11.0408; 6.6868; 16.9825 90; 97.038; 90 | 1244.3 | Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science, 2015, 6, 2010-2015 |
| 1553092 | CIF | C20 H29 Cl Mo N2 O3 | P 1 21/c 1 | 10.9605; 15.9334; 13.4384 90; 112.447; 90 | 2169 | Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants Catalysis Science & Technology, 2016, 6, 5207 |
| 1553093 | CIF | C41 H53 Cl17 Mo2 N4 O4 | F d -3 c :2 | 58.3972; 58.3972; 58.3972 90; 90; 90 | 199148 | Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants Catalysis Science & Technology, 2016, 6, 5207 |
| 1553094 | CIF | C40 H60 Cl2 Mo2 N4 O6 | P -1 | 12.2348; 14.0396; 14.2351 92.035; 107.553; 104.751 | 2237.7 | Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants Catalysis Science & Technology, 2016, 6, 5207 |
| 1553095 | CIF | C14 H16 O3 | P -1 | 9.017; 12.174; 12.8341 108.889; 99.634; 109.852 | 1191.34 | Dethe, Dattatraya H.; Boda, Raghavender; Murhade, Ganesh M. Lewis acid catalyzed Nazarov type cyclization for the synthesis of a substituted indane framework: total synthesis of (±)-mutisianthol Organic Chemistry Frontiers, 2015, 2, 645 |
| 1553096 | CIF | C56 H79 B5 O10 | P 21 21 21 | 12.38928; 20.5595; 23.639 90; 90; 90 | 6021.26 | Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules Organic Chemistry Frontiers, 2015, 2, 626 |
| 1553097 | CIF | C46 H46 B5 Cl3 O10 | P m n 21 | 20.2644; 13.18215; 8.2499 90; 90; 90 | 2203.78 | Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules Organic Chemistry Frontiers, 2015, 2, 626 |
| 1553098 | CIF | C32 H22 Cl2 Si | P 1 21/c 1 | 9.959; 24.396; 11.0384 90; 108.602; 90 | 2541.8 | Xu, Liang; Zhang, Shuai; Li, Pengfei Synthesis of silafluorenes and silaindenes via silyl radicals from arylhydrosilanes: intramolecular cyclization and intermolecular annulation with alkynes Organic Chemistry Frontiers, 2015, 2, 459 |
| 1553099 | CIF | C25 H29 N O3 | P 21 21 21 | 5.572; 15.48; 25.4858 90; 90; 90 | 2198.3 | Arena, Giada; Cini, Elena; Petricci, Elena; Randino, Rosario; Taddei, Maurizio A highly stereo-controlled protocol to prepare pipecolic acids based on Heck and cyclohydrocarbonylation reactions Organic Chemistry Frontiers, 2015, 2, 526 |
| 1553100 | CIF | C23 H16 O3.19 | P 1 21/c 1 | 22.264; 10.1945; 30.92 90; 91.849; 90 | 7014 | Liu, Tong; Ding, Qiuping; Zong, Qianshou; Qiu, Guanyinsheng Radical 5-exo cyclization of alkynoates with 2-oxoacetic acids for synthesis of 3-acylcoumarins Organic Chemistry Frontiers, 2015, 2, 670 |
| 1553101 | CIF | C18 H13 N O2 | P -1 | 7.159; 9.364; 10.541 78.846; 82.356; 72.557 | 659.3 | Dethe, Dattatraya H.; Kumar B, Vijay Concise asymmetric total synthesis of bruceolline J Organic Chemistry Frontiers, 2015, 2, 548 |
| 1553102 | CIF | C30 H24 F12 N6 Ru Sb2 | P -3 c 1 | 10.786; 10.786; 17.286 90; 90; 120 | 1741.59 | Gomes, Filipe; Narbonne, Vanessa; Blanchard, Florent; Maestri, Giovanni; Malacria, Max Formal base-free homolytic aromatic substitutions via photoredox catalysis Organic Chemistry Frontiers, 2015, 2, 464 |
| 1553103 | CIF | C16 H22 N O3 S | P -1 | 6.2097; 11.272; 11.547 104.782; 101.238; 100.235 | 744.1 | Zhang, Yan-Yan; Hao, Jian; Shi, Min One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr Organic Chemistry Frontiers, 2015, 2, 394 |
| 1553104 | CIF | C16 H17 N O3 S | P -1 | 8.3878; 9.8582; 19.139 76.354; 84.421; 73.985 | 1477.3 | Zhang, Yan-Yan; Hao, Jian; Shi, Min One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr Organic Chemistry Frontiers, 2015, 2, 394 |
| 1553105 | CIF | C17 H19 N O3 S | P 1 21/c 1 | 14.5933; 9.6858; 11.3977 90; 92.745; 90 | 1609.2 | Zhang, Yan-Yan; Hao, Jian; Shi, Min One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr Organic Chemistry Frontiers, 2015, 2, 394 |
| 1553106 | CIF | C33 H30 Br N O5 | I 2 2 2 | 15.713; 28.08; 28.507 90; 90; 90 | 12578 | Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel–Crafts alkylation reaction of pyrroles Organic Chemistry Frontiers, 2015, 2, 476 |
| 1553107 | CIF | C17 H0 I2 N3 O6 | P 1 21/c 1 | 5.5881; 18.985; 10.6706 90; 94.113; 90 | 1129.13 | Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle Organic Chemistry Frontiers, 2015, 2, 578 |
| 1553108 | CIF | C23 H25 N O5 | P -1 | 9.2215; 10.9612; 11.6484 87.764; 69.092; 73.409 | 1051.48 | Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle Organic Chemistry Frontiers, 2015, 2, 578 |
| 1553109 | CIF | C23 H17 I O3 | C 1 2/c 1 | 26.291; 8.781; 18.363 90; 111.863; 90 | 3934 | Zhu, Hai-Tao; Fan, Ming-Jin; Yang, De-Suo; Wang, Xiao-Ling; Ke, Sen; Zhang, Chao-Yang; Guan, Zheng-Hui An iodine-promoted Meyer–Schuster rearrangement for the synthesis of α-iodo unsaturated ketones Organic Chemistry Frontiers, 2015, 2, 506 |
| 1553110 | CIF | C59 H49 Cl4 F6 N P3 Rh | P 1 21/c 1 | 12.3535; 28.8354; 15.2713 90; 99.472; 90 | 5365.7 | Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes Organic Chemistry Frontiers, 2015, 2, 783 |
| 1553111 | CIF | C65 H61 F6 N O2 P3 Rh | P -1 | 10.8319; 13.2288; 22.0889 75.156; 79.856; 69.201 | 2847.44 | Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei Mechanistic studies on C–C reductive coupling of five-coordinate Rh(iii) complexes Organic Chemistry Frontiers, 2015, 2, 783 |
| 1553112 | CIF | C59 H46 Cl2 F9 N P3 Rh | P 1 21/n 1 | 13.6534; 25.7008; 15.5862 90; 93.092; 90 | 5461.29 | Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes Organic Chemistry Frontiers, 2015, 2, 783 |
| 1553113 | CIF | C58 H52 B Cl6 F4 N O Os P2 | P 1 21/n 1 | 16.5731; 19.6848; 18.1839 90; 112.182; 90 | 5493.2 | Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping Reactions of osmapyridinium with terminal alkynes Organic Chemistry Frontiers, 2015, 2, 560 |
| 1553114 | CIF | C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 | P 1 21/c 1 | 11.9299; 14.1946; 33.0235 90; 98.576; 90 | 5529.7 | Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping Reactions of osmapyridinium with terminal alkynes Organic Chemistry Frontiers, 2015, 2, 560 |
| 1553115 | CIF | C50 H43 B Cl5 F4 N3 O Os P | P 1 21/c 1 | 12.0746; 18.8448; 20.9677 90; 90.023; 90 | 4771.06 | Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping Reactions of osmapyridinium with terminal alkynes Organic Chemistry Frontiers, 2015, 2, 560 |
| 1553116 | CIF | C52 H55 B Cl4 F4 N3 Os P | C 1 c 1 | 19.3445; 16.8974; 16.1902 90; 111.004; 90 | 4940.5 | Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping Reactions of osmapyridinium with terminal alkynes Organic Chemistry Frontiers, 2015, 2, 560 |
| 1553117 | CIF | C19 H21 N O3 | P 1 21/c 1 | 7.2941; 13.2249; 17.2264 90; 96.919; 90 | 1649.62 | Santos, Hugo; Distiller, Amy; D'Souza, Asha M.; Arnoux, Quentin; White, Jonathan M.; Meyer, Adam G.; Ryan, John H. 1,3-Dipolar cycloaddition reactions of phthalic anhydrides with an azomethine ylide Organic Chemistry Frontiers, 2015, 2, 705 |
| 1553118 | CIF | C32 H37 N O4 S Sn | P 1 21 1 | 8.592; 10.956; 16.545 90; 92.673; 90 | 1556 | Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction Organic Chemistry Frontiers, 2015, 2, 713 |
| 1553119 | CIF | C16 H16 Cl I O S | P 21 21 21 | 7.6495; 12.803; 16.9343 90; 90; 90 | 1658.5 | Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R. Atroposelective synthesis of axially chiral P,S-ligands based on arynes Organic Chemistry Frontiers, 2015, 2, 634 |
| 1553120 | CIF | C28 H26 Cl P S | P 21 21 21 | 9.4309; 13.5255; 19.3191 90; 90; 90 | 2464.3 | Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R. Atroposelective synthesis of axially chiral P,S-ligands based on arynes Organic Chemistry Frontiers, 2015, 2, 634 |
| 1553121 | CIF | C35 H34 Cl3 P Pd S | P 21 21 21 | 11.8312; 15.3726; 17.795 90; 90; 90 | 3236.49 | Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R. Atroposelective synthesis of axially chiral P,S-ligands based on arynes Organic Chemistry Frontiers, 2015, 2, 634 |
| 1553122 | CIF | C19 H20 F3 N | P 1 21 1 | 10.4422; 33.2582; 10.4466 90; 114.77; 90 | 3294.2 | Chen, Mu-Wang; Ye, Zhi-Shi; Chen, Zhang-Pei; Wu, Bo; Zhou, Yong-Gui Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides Organic Chemistry Frontiers, 2015, 2, 586 |
| 1553123 | CIF | C23 H35 N S Si Ti | P 1 21/c 1 | 18.029; 9.695; 14.246 90; 110.517; 90 | 2332.1 | Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes Organic Chemistry Frontiers, 2015, 2, 681 |
| 1553124 | CIF | C23 H35 N S Si Zr | P 1 21/c 1 | 18.125; 9.87; 14.346 90; 110.563; 90 | 2402.9 | Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes Organic Chemistry Frontiers, 2015, 2, 681 |
| 1553125 | CIF | C18 H25 N S Si Zr | P 1 21/c 1 | 15.471; 9.164; 14.06 90; 108.282; 90 | 1892.8 | Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes Organic Chemistry Frontiers, 2015, 2, 681 |
| 1553126 | CIF | C8 H17 N S Si | P -1 | 6.2605; 6.9304; 14.4299 92.0278; 99.0665; 112.207 | 569.305 | Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes Organic Chemistry Frontiers, 2015, 2, 681 |
| 1553127 | CIF | C18 H16 O2 S | P 1 21/n 1 | 8.3022; 11.1608; 16.3992 90; 94.272; 90 | 1515.31 | Chen, Dianpeng; Xing, Gangdong; Zhou, Hongwei Sulfone promoted Rh(iii)-catalyzed C–H activation and base assisted 1,5-H shift strategy for the construction of seven-membered rings Organic Chemistry Frontiers, 2015, 2, 947 |
| 1553128 | CIF | C17 H21 N O3 | P -1 | 8.6808; 8.9707; 11.2873 104.818; 112.003; 92.742 | 777.67 | Liu, Xianglei; Gu, Zhenhua Pd-catalyzed Heck cyclization and in situ hydrocarboxylation or hydromethenylation via a hydrogen borrowing strategy Organic Chemistry Frontiers, 2015, 2, 778 |
| 1553129 | CIF | C16 H25 F O2 | P 21 21 21 | 5.9958; 13.644; 17.789 90; 90; 90 | 1455.3 | Zhang, Xiaofei; Guo, Shuo; Tang, Pingping Transition-metal free oxidative aliphatic C–H fluorination Organic Chemistry Frontiers, 2015, 2, 806 |
| 1553130 | CIF | C24 H31 F O8 | P 21 21 21 | 8.7359; 12.804; 20.625 90; 90; 90 | 2307 | Zhang, Xiaofei; Guo, Shuo; Tang, Pingping Transition-metal free oxidative aliphatic C–H fluorination Organic Chemistry Frontiers, 2015, 2, 806 |
| 1553131 | CIF | C16 H24 Cl2 N2 O Pd | P 1 21 1 | 12.1876; 9.8204; 15.854 90; 96.796; 90 | 1884.2 | Yu, Feng; Chen, Pinhong; Liu, Guosheng Pd(ii)-catalyzed intermolecular enantioselective hydroamination of styrenes Organic Chemistry Frontiers, 2015, 2, 819 |
| 1553132 | CIF | C13 H23 N O3 S | P 1 21 1 | 10.291; 5.9808; 12.068 90; 103.531; 90 | 722.1 | Ye, Jian-Liang; Zhang, Yu-Feng; Liu, Yang; Zhang, Jin-Yuan; Ruan, Yuan-Ping; Huang, Pei-Qiang Studies on the asymmetric synthesis of pandamarilactonines: an unexpected syn-selective vinylogous Mannich reaction of N-tert-butanesulfinimines Organic Chemistry Frontiers, 2015, 2, 697 |
| 1553133 | CIF | C33 H36 N O8 P S | P -1 | 10.3564; 12.0563; 14.1956 69.77; 82.139; 68.496 | 1547.3 | Kondoh, Azusa; Terada, Masahiro Brønsted base-catalyzed α-oxygenation of carbonyl compounds utilizing the [1,2]-phospha-Brook rearrangement Organic Chemistry Frontiers, 2015, 2, 801 |
| 1553134 | CIF | C11 H13 N O7 S2 | P 21 21 21 | 7.82043; 10.2265; 17.491 90; 90; 90 | 1398.85 | Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application Organic Chemistry Frontiers, 2015, 2, 890 |
| 1553135 | CIF | C11 H12 N2 O7 S | P 41 | 15.41418; 15.41418; 5.95145 90; 90; 90 | 1414.05 | Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application Organic Chemistry Frontiers, 2015, 2, 890 |
| 1553136 | CIF | C14 H14 N2 O3 | P 1 2/c 1 | 12.8276; 8.4882; 24.8068 90; 91.044; 90 | 2700.6 | Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols Organic Chemistry Frontiers, 2015, 2, 951 |
| 1553137 | CIF | C28 H21 F3 N4 O6 Pd2 | P 1 21/c 1 | 14.4863; 17.2032; 11.5651 90; 105.969; 90 | 2770.93 | Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols Organic Chemistry Frontiers, 2015, 2, 951 |
| 1553138 | CIF | C17 H18 N2 O3 | P -1 | 6.8879; 8.282; 14.4023 104.655; 94.121; 91.668 | 791.85 | Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie Palladium-catalyzed direct ortho C–O bond construction of azoxybenzenes with carboxylic acids and alcohols Organic Chemistry Frontiers, 2015, 2, 951 |
| 1553139 | CIF | C20 H26 N O2 S | P -1 | 8.6248; 9.8158; 11.6537 99.05; 101.411; 96.596 | 944.1 | Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C‒C bond activation Organic Chemistry Frontiers, 2015, 2, 792 |
| 1553140 | CIF | C30 H31 N O2 S | P 1 21/n 1 | 8.5768; 10.2978; 28.986 90; 90.183; 90 | 2560.1 | Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C–C bond activation Organic Chemistry Frontiers, 2015, 2, 792 |
| 1553141 | CIF | C21 H22 Br N3 O5 | P 1 21 1 | 9.8915; 9.4814; 11.942 90; 102.048; 90 | 1095.31 | Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base Organic Chemistry Frontiers, 2015, 2, 968 |
| 1553142 | CIF | C14 H15 Br N2 O3 | P n a 21 | 7.1573; 21.4898; 9.4975 90; 90; 90 | 1460.8 | Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base Organic Chemistry Frontiers, 2015, 2, 968 |
| 1553143 | CIF | C70 H66 Cl34 N8 P2 Ru2 | P 1 21/n 1 | 13.25; 16.9695; 23.3436 90; 103.948; 90 | 5093.95 | Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties Organic Chemistry Frontiers, 2015, 2, 936 |
| 1553144 | CIF | C32 H35 Cl2 N4 O5 P Ru | P 1 21/c 1 | 18.2792; 11.74106; 17.1049 90; 117.389; 90 | 3259.49 | Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties Organic Chemistry Frontiers, 2015, 2, 936 |
| 1553145 | CIF | C26 H17 O3 P | P 21 21 21 | 8.4926; 12.013; 19.248 90; 90; 90 | 1963.7 | Xu, Guangqing; Li, Minghong; Wang, Shouliang; Tang, Wenjun Efficient synthesis of P-chiral biaryl phosphonates by stereoselective intramolecular cyclization Organic Chemistry Frontiers, 2015, 2, 1342 |
| 1553146 | CIF | C25 H23 Au I N3 O | C 1 2/c 1 | 32.577; 10.964; 15.077 90; 101.267; 90 | 5281.3 | Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes Organic Chemistry Frontiers, 2015, 2, 1475 |
| 1553147 | CIF | C23 H19 Au I N3 O | P 21 21 21 | 10.3025; 16.0231; 26.3966 90; 90; 90 | 4357.5 | Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes Organic Chemistry Frontiers, 2015, 2, 1475 |
| 1553148 | CIF | C24 H34 O10 | P 21 21 21 | 5.8507; 14.177; 30.834 90; 90; 90 | 2557.5 | Huang, Xin; Xue, Can; Fu, Chunling; Ma, Shengming A concise construction of carbohydrate-tethered axially chiral allenes via copper catalysis Organic Chemistry Frontiers, 2015, 2, 1040 |
| 1553149 | CIF | C21 H19 N O6 | P 21 21 21 | 10.8569; 14.913; 23.1808 90; 90; 90 | 3753.2 | Duan, Jindian; Cheng, Jing; Li, Pengfei Enantioselective construction of spiro-1,3-indandiones with three stereocenters via organocatalytic Michael-aldol reaction of 2-arylideneindane-1,3-diones and nitro aldehydes Organic Chemistry Frontiers, 2015, 2, 1048 |
| 1553150 | CIF | C72 H74 I2 N36 O16 | P n a 21 | 13.093; 25.621; 27.14 90; 90; 90 | 9104 | Zhou, Tian-You; Qi, Qiao-Yan; Zhang, Ying; Xu, Xiao-Na; Zhao, Xin A thermally stable pH-responsive “supramolecular buckle” based on the encapsulation of 4-(4-aminophenyl)-N-methylpyridinium by cucurbit[8]uril Organic Chemistry Frontiers, 2015, 2, 1030 |
| 1553151 | CIF | C18 H19 N O2 | C 1 2/c 1 | 20.293; 6.84225; 22.5979 90; 90.8593; 90 | 3137.36 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553152 | CIF | C18 H19 N O2 | P 1 21/c 1 | 7.63367; 29.2305; 6.84862 90; 102.295; 90 | 1493.12 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553153 | CIF | C19 H21 N O2 | P b c a | 12.4972; 14.1613; 17.5538 90; 90; 90 | 3106.61 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553154 | CIF | C16 H17 N O3 | P 21 21 21 | 6.86998; 15.21957; 27.0563 90; 90; 90 | 2828.96 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553155 | CIF | C19 H21 N O3 | P -1 | 6.98428; 15.3845; 16.6168 110.497; 97.0023; 102.274 | 1596.16 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553156 | CIF | C18 H20 N2 O3 | P -1 | 6.8071; 15.0202; 15.8559 90.798; 101.156; 100.035 | 1564.3 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553157 | CIF | C11 H14 N2 O2 | P -1 | 7.5414; 11.8446; 12.2635 80.154; 88.093; 88.519 | 1078.48 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553158 | CIF | C46 H42 N2 O | C 1 2/c 1 | 12.55604; 15.09459; 18.9643 90; 105.866; 90 | 3457.35 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553159 | CIF | C48 H46 N2 O3 | P -1 | 10.1705; 10.2903; 19.4528 99.778; 99.679; 106.888 | 1868.04 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553160 | CIF | C34 H34 N2 O | P 1 21/c 1 | 11.9986; 10.6018; 20.9045 90; 104.851; 90 | 2570.36 | Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445 |
| 1553161 | CIF | C15 H18 N2 O2 | P 1 21/n 1 | 18.06936; 17.802; 18.2203 90; 90.5295; 90 | 5860.69 | Huang, Pei-Qiang; Ou, Wei; Ye, Jian-Liang Aza-Knoevenagel-type condensation of secondary amides: direct access to N-monosubstituted β,β-difunctionalized enamines Organic Chemistry Frontiers, 2015, 2, 1094 |
| 1553162 | CIF | C10 H9 F3 O2 S2 | P 1 21/n 1 | 9.4647; 5.7312; 22.1678 90; 100.283; 90 | 1183.16 | Yang, Hai-Bin; Fan, Xing; Wei, Yin; Shi, Min Solvent-controlled nucleophilic trifluoromethylthiolation of Morita–Baylis–Hillman carbonates: dual roles of DABCO in activating the Zard's trifluoromethylthiolation reagent and the MBH carbonates Organic Chemistry Frontiers, 2015, 2, 1088 |
| 1553163 | CIF | C23 H27 N O3 | P 1 21/c 1 | 10.695; 21.389; 9.1312 90; 99.66; 90 | 2059.2 | Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water Organic Chemistry Frontiers, 2015, 2, 1326 |
| 1553164 | CIF | C22 H24 Cl N O4 | P b c a | 12.5003; 9.5999; 34.846 90; 90; 90 | 4181.6 | Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water Organic Chemistry Frontiers, 2015, 2, 1326 |
| 1553165 | CIF | C30 H23 N O2 | P -1 | 8.8044; 9.6097; 13.3333 93.346; 95.699; 90.433 | 1120.5 | Guo, Tenglong; Jiang, Quanbin; Yu, Zhengkun Palladium-catalyzed oxidative annulation of in situ generated enones to pyrroles: a concise route to functionalized indoles Organic Chemistry Frontiers, 2015, 2, 1361 |
| 1553166 | CIF | C10 H8 N4 O | P b c a | 7.008; 13.515; 19.467 90; 90; 90 | 1843.8 | Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei The development of carbene-stabilized N–O radical coupling strategy in metal-free regioselective C–H azidation of quinoline N-oxides Organic Chemistry Frontiers, 2015, 2, 1313 |
| 1553167 | CIF | C25 H0 N24 O0.5 | P -1 | 10.974; 13.036; 14.337 68.085; 67.898; 73.316 | 1737 | Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes Organic Chemistry Frontiers, 2015, 2, 1366 |
| 1553168 | CIF | C36 H40 O8 | C 1 2/c 1 | 8.621; 21.744; 18.379 90; 100.954; 90 | 3382.5 | Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes Organic Chemistry Frontiers, 2015, 2, 1366 |
| 1553169 | CIF | C33 H41 N O9 | P 1 21/c 1 | 9.7518; 17.4971; 20.0458 90; 101.206; 90 | 3355.17 | Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes Organic Chemistry Frontiers, 2015, 2, 1366 |
| 1553170 | CIF | C15 H14 O3 S | P -1 | 8.503; 10.6762; 15.8607 76.75; 81.107; 88.437 | 1384.6 | Li, Siyu; Li, Xiang; Yang, Fan; Wu, Yangjie Copper-catalyzed direct decarboxylative hydrosulfonylation of aryl propiolic acids with sulfonylhydrazides leading to vinylsulfones Organic Chemistry Frontiers, 2015, 2, 1076 |
| 1553171 | CIF | C28 H29 N3 O4 S2 | P 1 21/n 1 | 10.2945; 18.1137; 14.6463 90; 105.831; 90 | 2627.5 | Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C–H functionalization of indolyltriazoles Organic Chemistry Frontiers, 2015, 2, 1516 |
| 1553172 | CIF | C27 H24 Cl3 N3 O4 S2 | P -1 | 11.3585; 11.981; 13.438 106.42; 108.985; 104.217 | 1539.6 | Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C–H functionalization of indolyltriazoles Organic Chemistry Frontiers, 2015, 2, 1516 |
| 1553173 | CIF | C26 H23 Cl F7 N O | C 1 c 1 | 12.89225; 15.11065; 24.8076 90; 101.997; 90 | 4727.22 | Lao, Ye-Xing; Wu, Jia-Qiang; Chen, Yunyun; Zhang, Shang-Shi; Li, Qingjiang; Wang, Honggen Palladium-catalyzed methylene C(sp3)–H arylation of the adamantyl scaffold Organic Chemistry Frontiers, 2015, 2, 1374 |
| 1553174 | CIF | C9 H6 F3 N3 | P 1 21/c 1 | 11.6048; 11.0429; 22.106 90; 94.237; 90 | 2825.2 | Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles Organic Chemistry Frontiers, 2015, 2, 1468 |
| 1553175 | CIF | C11 H7 F6 N3 | P 1 21/c 1 | 10.63; 8.222; 13.645 90; 100.814; 90 | 1171.4 | Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles Organic Chemistry Frontiers, 2015, 2, 1468 |
| 1553176 | CIF | C23 H19 Cl O2 | C 1 2/c 1 | 28.386; 9.195; 17.591 90; 125.324; 90 | 3746.1 | Li, Yang; Liu, Bang; Ouyang, Xuan-Hui; Song, Ren-Jie; Li, Jin-Heng Alkylation/1,2-aryl migration of α-aryl allylic alcohols with α-carbonyl alkyl bromides using visible-light photoredox catalysis Organic Chemistry Frontiers, 2015, 2, 1457 |
| 1553177 | CIF | C25 H27 Br2 N5 O2 | P -1 | 8.8674; 9.3784; 16.618 82.99; 87.24; 62.65 | 1218.3 | Zende, V. M.; Schulzke, C.; Kapdi, A. R. Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates Organic Chemistry Frontiers, 2015, 2, 1397 |
| 1553178 | CIF | C21 H14 O2 | C 1 2/c 1 | 23.657; 7.2556; 18.859 90; 111.31; 90 | 3015.7 | Zende, V. M.; Schulzke, C.; Kapdi, A. R. Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates Organic Chemistry Frontiers, 2015, 2, 1397 |
| 1553179 | CIF | C26 H18 | P 1 21/n 1 | 10.441; 7.4965; 22.577 90; 94.06; 90 | 1762.7 | Zende, V. M.; Schulzke, C.; Kapdi, A. R. Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates Organic Chemistry Frontiers, 2015, 2, 1397 |
| 1553180 | CIF | C26 H18 | C 1 2/c 1 | 10.596; 13.501; 12.12 90; 90.38; 90 | 1733.8 | Zende, V. M.; Schulzke, C.; Kapdi, A. R. Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki–Miyaura arylation of bromoanthracene and related substrates Organic Chemistry Frontiers, 2015, 2, 1397 |
| 1553181 | CIF | C29 H27 N O4 | P -1 | 10.767; 11.483; 19.2866 88.719; 87.476; 80.292 | 2347.8 | Patra, Atanu; Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T. Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes Organic Chemistry Frontiers, 2015, 2, 1584 |
| 1553182 | CIF | C20 H19 N O7 | P 1 21/c 1 | 11.3454; 13.013; 12.3899 90; 91.009; 90 | 1828.93 | Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V. Cu-catalyzed sequential C–N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones Organic Chemistry Frontiers, 2016, 3, 43 |
| 1553183 | CIF | C21 H33 N O4 Si | P 21 21 21 | 6.3258; 17.6205; 20.9213 90; 90; 90 | 2331.97 | Si, Chang-Mei; Mao, Zhuo-Ya; Liu, Yi-Wen; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang Stereoselective formation of chiral trans-4-hydroxy-5-substituted 2-pyrrolidinones: syntheses of streptopyrrolidine and 3-epi-epohelmin A Organic Chemistry Frontiers, 2015, 2, 1485 |
| 1553184 | CIF | C76 H19 N3 O5 | P 1 21/n 1 | 13.06; 13.2703; 29.7423 90; 95.06; 90 | 5134.6 | Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule Organic Chemistry Frontiers, 2015, 2, 1500 |
| 1553185 | CIF | C82 H27 N5 O5 | P 1 21/c 1 | 17.987; 18.451; 19.171 90; 117.87; 90 | 5624 | Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule Organic Chemistry Frontiers, 2015, 2, 1500 |
| 1553186 | CIF | C16 H8 Br F3 O2 S | P 1 21/n 1 | 12.9202; 7.9412; 14.2105 90; 91.2584; 90 | 1457.67 | Zeng, Yao-Fu; Tan, Dong-Hang; Chen, Yunyun; Lv, Wen-Xin; Liu, Xu-Ge; Li, Qingjiang; Wang, Honggen Direct radical trifluoromethylthiolation and thiocyanation of aryl alkynoate esters: mild and facile synthesis of 3-trifluoromethylthiolated and 3-thiocyanated coumarins Organic Chemistry Frontiers, 2015, 2, 1511 |
| 1553187 | CIF | C22 H16 N2 O | P 1 21/c 1 | 8.4582; 11.1421; 18.5214 90; 100.439; 90 | 1716.61 | Li, Yaxuan; Fu, Yajie; Ren, Chaojie; Tang, Dong; Wu, Ping; Meng, Xu; Chen, Baohua Copper-catalyzed oxidative coupling reaction of α,β-unsaturated aldehydes with amidines: synthesis of 1,2,4-trisubstituted-1H-imidazole-5-carbaldehydes Organic Chemistry Frontiers, 2015, 2, 1632 |
| 1553188 | CIF | C26 H23 F6 N2 O P2 Rh | P 1 21/c 1 | 10.6439; 11.6245; 21.782 90; 100.416; 90 | 2650.7 | Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B. Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes Organic Chemistry Frontiers, 2015, 2, 1561 |
| 1553189 | CIF | C20 H27 F6 N2 O P2 Rh | P 1 21/n 1 | 13.4021; 10.9937; 15.6906 90; 97.462; 90 | 2292.3 | Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B. Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes Organic Chemistry Frontiers, 2015, 2, 1561 |
| 1553190 | CIF | C22 H25 F6 N2 O2 P2 Rh | P -1 | 9.70447; 9.77001; 14.1603 83.358; 74.636; 74.636 | 1246.84 | Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B. Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes Organic Chemistry Frontiers, 2015, 2, 1561 |
| 1553191 | CIF | C24 H25 Cl N2 O0.25 Ru S | P -1 | 10.0366; 10.6641; 12.3895 70.891; 84.601; 64.031 | 1124.59 | Xie, Xiaoke; Huynh, Han Vinh Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations Organic Chemistry Frontiers, 2015, 2, 1598 |
| 1553192 | CIF | C30 H29 Cl N2 Ru S | P 1 21/c 1 | 10.4555; 15.1572; 16.4668 90; 94.422; 90 | 2601.83 | Xie, Xiaoke; Huynh, Han Vinh Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations Organic Chemistry Frontiers, 2015, 2, 1598 |
| 1553193 | CIF | C24 H25 Br N2 Ru S | P -1 | 10.5184; 10.8146; 11.5002 87.04; 64.781; 69.987 | 1105.18 | Xie, Xiaoke; Huynh, Han Vinh Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations Organic Chemistry Frontiers, 2015, 2, 1598 |
| 1553194 | CIF | C28 H27 Cl N2 Ru S | P 1 21/n 1 | 14.301; 11.104; 15.932 90; 108.464; 90 | 2399.7 | Xie, Xiaoke; Huynh, Han Vinh Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations Organic Chemistry Frontiers, 2015, 2, 1598 |
| 1553195 | CIF | C24 H22 N4 O4 | P 21 21 21 | 7.6889; 15.5382; 16.4272 90; 90; 90 | 1962.58 | Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach Organic Chemistry Frontiers, 2016, 3, 24 |
| 1553196 | CIF | C24 H26 N4 O6 | P -1 | 9.32; 10.5489; 12.1772 95.818; 90.49; 111.805 | 1104.44 | Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach Organic Chemistry Frontiers, 2016, 3, 24 |
| 1553197 | CIF | C15 H24 Br N O5 | P -1 | 8.8508; 10.0352; 10.7879 116.066; 107.114; 90.5266 | 811.83 | Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers, 2016, 3, 330 |
| 1553198 | CIF | C14 H23 Cl2 N O5 | P 1 21/n 1 | 11.7775; 8.7429; 16.8595 90; 105.852; 90 | 1670 | Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers, 2016, 3, 330 |
| 1553199 | CIF | C13 H19 N O4 | P 1 21/n 1 | 11.3134; 9.429; 12.7345 90; 110.991; 90 | 1268.29 | Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers, 2016, 3, 330 |
| 1553200 | CIF | C15 H21 N O4 | P 1 21/c 1 | 17.0197; 16.271; 10.1414 90; 99.0774; 90 | 2773.26 | Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers, 2016, 3, 330 |
| 1553201 | CIF | C13 H19 N O5 | P 1 21/n 1 | 10.9816; 9.2222; 13.0751 90; 107.689; 90 | 1261.57 | Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers, 2016, 3, 330 |
| 1553202 | CIF | C25 H32 Cl Ir N2 | P 1 21/n 1 | 13.083; 9.848; 18.876 90; 93.26; 90 | 2428.1 | Tang, Guo-Dong; Pan, Cheng-Ling; Li, Xingwei Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C‒H activation Organic Chemistry Frontiers, 2016, 3, 87 |
| 1553203 | CIF | C27 H29 N O2 | P 1 21/c 1 | 15.5737; 12.7774; 11.4615 90; 91.399; 90 | 2280.06 | Roy, Tony; Bhojgude, Sachin Suresh; Kaicharla, Trinadh; Thangaraj, Manikandan; Garai, Bikash; Biju, Akkattu T. Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines Organic Chemistry Frontiers, 2016, 3, 71 |
| 1553204 | CIF | C12 H14 O2 | P 1 21/c 1 | 9.8964; 7.7982; 13.421 90; 91.267; 90 | 1035.5 | Ling, Jesse; Lam, Sze Kui; Lo, Brian; Lam, Sarah; Wong, Wing-Tak; Sun, Jian; Chen, Guanhua; Chiu, Pauline Epoxy and aziridinyl enolsilanes in diastereoselective inter- and intramolecular Friedel–Crafts alkylations Organic Chemistry Frontiers, 2016, 3, 457 |
| 1553205 | CIF | C22 H20 Cl N O2 S | I 1 a 1 | 11.4861; 14.0594; 13.486 90; 111.393; 90 | 2027.77 | Prabagar, B.; Nayak, Sanatan; Mallick, Rajendra K.; Prasad, Rangu; Sahoo, Akhila K. Triphenylphosphine promoted regio and stereoselective α-halogenation of ynamides Organic Chemistry Frontiers, 2016, 3, 110 |
| 1553206 | CIF | C27 H28 Br N3 O7 S | P 1 21 1 | 11.0065; 8.788; 14.4392 90; 99.424; 90 | 1377.78 | Gerten, Anthony L.; Stanley, Levi M. Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters Organic Chemistry Frontiers, 2016, 3, 339 |
| 1553207 | CIF | C36 H29 Cl O6 | P 21 21 21 | 6.2154; 20.2473; 22.9882 90; 90; 90 | 2893 | Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters Organic Chemistry Frontiers, 2016, 3, 145 |
| 1553208 | CIF | C24 H25 N3 O2 | P -1 | 7.1121; 8.5933; 18.426 94.339; 100.719; 105.418 | 1057.3 | Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes Organic Chemistry Frontiers, 2016, 3, 184 |
| 1553209 | CIF | C28 H26 N2 O3 | P 1 21/c 1 | 15.8733; 11.8466; 12.3385 90; 99.402; 90 | 2289 | Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes Organic Chemistry Frontiers, 2016, 3, 184 |
| 1553210 | CIF | C22 H24 Br2 N2 | P -1 | 9.1241; 10.2171; 11.3635 78.194; 82.379; 72.418 | 985.63 | Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I) Organic Chemistry Frontiers, 2016, 3, 324 |
| 1553211 | CIF | C20 H22 N2 | P -1 | 7.4987; 7.9073; 14.5997 77.721; 79.566; 69.529 | 787.06 | Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I) Organic Chemistry Frontiers, 2016, 3, 324 |
| 1553212 | CIF | C22 H32 N2 O4 | P 21 21 21 | 10.016; 10.025; 21.596 90; 90; 90 | 2168.5 | Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine Organic Chemistry Frontiers, 2016, 3, 62 |
| 1553213 | CIF | C17 H25 Cl N2 O2 | C 2 2 21 | 10.351; 11.942; 26.963 90; 90; 90 | 3332.9 | Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine Organic Chemistry Frontiers, 2016, 3, 62 |
| 1553214 | CIF | C23 H27 Cl6 I N2 | P 1 21/n 1 | 12.0005; 9.4272; 25.9285 90; 101.178; 90 | 2877.7 | Desens, Willi; Kohrt, Christina; Spannenberg, Anke; Werner, Thomas A novel zinc based binary catalytic system for CO2utilization under mild conditions Organic Chemistry Frontiers, 2016, 3, 156 |
| 1553215 | CIF | C16 H17 Cl2 N O4 | P 21 21 21 | 8.3061; 9.701; 20.7173 90; 90; 90 | 1669.35 | Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis Organic Chemistry Frontiers, 2016, 3, 319 |
| 1553216 | CIF | C16 H17 Br2 N O4 | P 1 21 1 | 8.3327; 9.5492; 11.4501 90; 108.133; 90 | 865.84 | Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis Organic Chemistry Frontiers, 2016, 3, 319 |
| 1553217 | CIF | C20 H16 O5 | P -1 | 7.1154; 11.1585; 11.1645 107.811; 95.51; 91.238 | 838.83 | Zhang, Wen-Zhen; Yang, Ming-Wang; Yang, Xu-Tong; Shi, Ling-Long; Wang, Hui-Bo; Lu, Xiao-Bing Double carboxylation of o-alkynyl acetophenone with carbon dioxide Organic Chemistry Frontiers, 2016, 3, 217 |
| 1553218 | CIF | C25 H27 N O2 S | P 1 21/n 1 | 8.6446; 10.8046; 24.326 90; 99.922; 90 | 2238.1 | Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones Organic Chemistry Frontiers, 2016, 3, 259 |
| 1553219 | CIF | C20 H28 O2 Si | P 1 21/n 1 | 7.5687; 30.831; 8.0907 90; 90.916; 90 | 1887.7 | Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers, 2016, 3, 354 |
| 1553220 | CIF | C14 H11 F3 O | P -1 | 7.3733; 11.2959; 14.9182 109.524; 92.663; 101.436 | 1139.24 | Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers, 2016, 3, 354 |
| 1553221 | CIF | C14 H12 O3 | P 1 2/c 1 | 15.9874; 10.2887; 13.7969 90; 108.28; 90 | 2154.92 | Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers, 2016, 3, 354 |
| 1553222 | CIF | C14 H13 F O | P b c a | 34.01; 9.158; 7.196 90; 90; 90 | 2241 | Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers, 2016, 3, 354 |
| 1553223 | CIF | C34 H24 N P | P -1 | 9.9764; 11.8382; 12.5698 115.716; 100.125; 93.876 | 1299.22 | Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses Organic Chemistry Frontiers, 2016, 3, 273 |
| 1553224 | CIF | C19 H16 F N O5 S | P 21 21 21 | 10.342; 12.672; 13.549 90; 90; 90 | 1775.6 | Yu, Jin-Sheng; Zhou, Jian Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines Organic Chemistry Frontiers, 2016, 3, 298 |
| 1553225 | CIF | C17 H14 F2 N2 O4 S | P 21 21 21 | 7.1956; 9.6833; 23.2873 90; 90; 90 | 1622.59 | Yu, Jin-Sheng; Zhou, Jian Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines Organic Chemistry Frontiers, 2016, 3, 298 |
| 1553226 | CIF | C23 H14 Cl2 N2 O | P 1 21/c 1 | 8.9936; 20.9137; 10.6975 90; 112.585; 90 | 1857.78 | Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers, 2016, 3, 344 |
| 1553227 | CIF | C24 H14 Cl2 N2 O2 | P -1 | 6.3775; 12.1686; 13.4121 80.819; 88.955; 75.537 | 994.7 | Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers, 2016, 3, 344 |
| 1553228 | CIF | C24 H14 Cl2 N2 O2 | P -1 | 5.2005; 13.556; 15.6215 73.584; 85.49; 87.12 | 1052.7 | Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers, 2016, 3, 344 |
| 1553229 | CIF | C24 H17 Cl N2 O2 | P 21 21 21 | 8.0462; 9.2337; 26.6656 90; 90; 90 | 1981.2 | Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers, 2016, 3, 344 |
| 1553230 | CIF | C20 H15 N3 O3 | I 1 2/a 1 | 13.6461; 10.723; 22.268 90; 90.915; 90 | 3258 | Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G. Palladium-catalyzed arylation of β-methylene C(sp3)–H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids Organic Chemistry Frontiers, 2016, 3, 561 |
| 1553231 | CIF | C23 H18 N2 O5 | P 1 21 1 | 7.6839; 11.0556; 12.4153 90; 106.486; 90 | 1011.32 | Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids Organic Chemistry Frontiers, 2016, 3, 470 |
| 1553232 | CIF | C38 H34 N O4 P S | P 1 21/c 1 | 13.83; 21.2702; 14.1309 90; 119.452; 90 | 3619.6 | Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang Metal-free oxidative hydrophosphinylation of 1,7-enynes Organic Chemistry Frontiers, 2016, 3, 385 |
| 1553233 | CIF | C13 H14 Br N O3 S | P 1 21/c 1 | 20.218; 9.2121; 15.306 90; 95.315; 90 | 2838.5 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553234 | CIF | C13 H14 Br N O3 S | P -1 | 7.8592; 9.0905; 9.748 79.19; 89.1; 77.31 | 667.1 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553235 | CIF | C16 H14 Br N O3 S | P 1 21/c 1 | 11.83; 9.2659; 14.59 90; 97.6; 90 | 1585.2 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553236 | CIF | C16 H14 Br N O3 S | P -1 | 8.3045; 9.415; 11.19 87.089; 73.797; 70.74 | 792.3 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553237 | CIF | C16 H14 Br N O3 S | P 1 21/c 1 | 15.825; 8.982; 11.426 90; 109.905; 90 | 1527.1 | Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers, 2016, 3, 447 |
| 1553238 | CIF | C22 H25 N O3 | P 1 21 1 | 8.1343; 27.626; 8.8172 90; 97.223; 90 | 1965.7 | Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi Pd(ii)-catalyzed β-C–H arylation of O-methyl ketoximes with iodoarenes Organic Chemistry Frontiers, 2016, 3, 380 |
| 1553239 | CIF | C29 H24 Cl2 F6 N4 O4 | C 1 2/c 1 | 14.9981; 14.2324; 14.6364 90; 103.93; 90 | 3032.39 | Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V. A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process. Reaction chemistry & engineering, 2016, 1, 101-105 |
| 1553240 | CIF | C11 H10 F3 N3 | P 1 21/c 1 | 12.275; 7.265; 12.6939 90; 107.016; 90 | 1082.46 | Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V. A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process. Reaction chemistry & engineering, 2016, 1, 101-105 |
| 1553241 | CIF | C49 H34 Cl2 | A e m 2 | 13.3249; 26.5982; 10.0862 90; 90; 90 | 3574.7 | Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements. Chemical science, 2016, 7, 3681-3688 |
| 1553242 | CIF | C18 H27 Cl N2 O | P 1 21/a 1 | 14.388; 6.189; 20.392 90; 98.16; 90 | 1797.47 | Jiménez-Sánchez, Arturo; Santillan, Rosa A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition. The Analyst, 2016, 141, 4108-4120 |
| 1553243 | CIF | C15 H20 O4 | P 21 21 21 | 13.0489; 12.6807; 7.92534 90; 90; 90 | 1311.4 | Zhang, Xiao-Yan; Liu, Zhan-Liang; Sun, Bing-Da; Niu, Shu-Bin; Wang, Meng-Hua; Tan, Xiang-Mei; Zou, Zhong-Mei; Ding, Gang Bioactive Resorcylic Acid Lactones with Different Ring Systems from Desert Plant Chaetosphaeronema hispidulum. [corrected]. Journal of agricultural and food chemistry, 2018, 66, 8976-8982 |
| 1553244 | CIF | C37 H28 O | P 1 21/c 1 | 11.6881; 17.6933; 12.7663 90; 97.516; 90 | 2617.4 | Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E. Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels–Alder Reaction Sequence Journal of Chemical Education, 2015, 92, 1381 |
| 1553245 | CIF | C37 H28 O | P -1 | 10.6896; 11.5817; 12.2608 118.181; 94.775; 99.292 | 1298.1 | Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E. Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels–Alder Reaction Sequence Journal of Chemical Education, 2015, 92, 1381 |
| 1553246 | CIF | C27 H37 N2 O3.5 | P 1 21/c 1 | 26.9572; 9.9991; 19.3387 90; 100.974; 90 | 5117.4 | Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W. Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory Journal of Chemical Education, 2018, 96, 137 |
| 1553247 | CIF | C11 H12 Br N O2 | P 32 | 9.9756; 9.9756; 9.8502 90; 90; 120 | 848.89 | Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W. Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory Journal of Chemical Education, 2018, 96, 137 |
| 1553248 | CIF | C17 H17 N O3 | I 1 a 1 | 9.8846; 9.7683; 15.0513 90; 97.453; 90 | 1441.01 | Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W. Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory Journal of Chemical Education, 2018, 96, 137 |
| 1553249 | CIF | C21 H24 O5 | P 21 21 21 | 4.9653; 10.6228; 34.2129 90; 90; 90 | 1804.57 | Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity. Journal of medicinal chemistry, 2015, 58, 2538-2546 |
| 1553250 | CIF | C23 H31 F N3 O10 P | C 1 2 1 | 30.024; 7.0591; 13.29 90; 101.32; 90 | 2761.9 | Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma. Journal of medicinal chemistry, 2016, 59, 3661-3670 |
| 1553251 | CIF | C41.5 H70 N7 O13 | P 21 21 21 | 13.571; 17.6203; 21.2057 90; 90; 90 | 5070.8 | Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K. Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. Journal of medicinal chemistry, 2016, 59, 5368-5376 |
| 1553252 | CIF | C41 H63 N7 O9 | P 21 21 21 | 13.1244; 13.601; 48.964 90; 90; 90 | 8740.3 | Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K. Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. Journal of medicinal chemistry, 2016, 59, 5368-5376 |
| 1553253 | CIF | C19 H23 Cl F N O4 S | P 1 21/c 1 | 22.01; 9.223; 9.454 90; 100.101; 90 | 1889.4 | Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S. Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain. Journal of medicinal chemistry, 2018, 61, 4810-4831 |
| 1553254 | CIF | C27 H28 Br N5 O3 | P 1 21 1 | 13.774; 18.775; 10.658 90; 110.084; 90 | 2588.6 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
| 1553255 | CIF | C12 H11 N O3 | P 21 21 21 | 6.917; 8.4769; 18.1729 90; 90; 90 | 1065.56 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
| 1553256 | CIF | C26 H20 F N5 O2 | P -1 | 7.7758; 10.3458; 14.6505 71.053; 75.006; 80.624 | 1072.75 | Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. Journal of medicinal chemistry, 2018, 61, 6110-6120 |
| 1553257 | CIF | C16 H20 O5 | P 21 21 21 | 6.9288; 7.9172; 52.844 90; 90; 90 | 2898.8 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1553258 | CIF | C16 H20 O5 | P 43 21 2 | 8.0784; 8.0784; 45.237 90; 90; 90 | 2952.2 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1553259 | CIF | C16 H20 O5 | P 1 21 1 | 7.7904; 11.4929; 16.2869 90; 103.739; 90 | 1416.5 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
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