Crystallography Open Database

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4515554 CIFC23 H25 N O2P 1 21 19.356; 10.7541; 9.6715
90; 96.3296; 90
967.17Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi
Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides
ACS Catalysis, 2018, 8, 7340
4515555 CIFC11 H17 B Cl N OP n a 2119.738; 5.4134; 11.384
90; 90; 90
1216.4Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin
Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones
ACS Catalysis, 2018, 8, 7351
4515556 CIFC62 H42 O6 Ru2P -112.7987; 15.0974; 25.8586
104.39; 95.12; 100
4720.16Gusev, Dmitry G.; Spasyuk, Denis M.
Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst
ACS Catalysis, 2018, 8, 6851
4515557 CIFC31 H22 O3 RuP 1 21/n 115.7952; 7.4857; 20.8655
90; 100.47; 90
2426.02Gusev, Dmitry G.; Spasyuk, Denis M.
Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst
ACS Catalysis, 2018, 8, 6851
4515558 CIFC57 H75 Cl3 Fe3 N6P -112.6922; 13.0313; 16.647
76.0639; 84.1498; 84.0536
2649.46Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.
Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.
ACS catalysis, 2018, 8, 7208-7212
4515559 CIFC21 H18 Mn N5 O4P 1 21/c 113.4325; 11.7346; 13.7646
90; 92.32; 90
2167.87Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun
Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions
ACS Catalysis, 2018, 8, 7201
4515560 CIFC21 H26 N2 OP 1 21/c 117.2156; 7.3295; 13.8834
90; 90.807; 90
1751.66Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando
Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course
ACS Catalysis, 2018, 8, 7397
4515561 CIFC22 H23 N O2P 1 21/c 112.2561; 9.8925; 15.8384
90; 110.254; 90
1801.6Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando
Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course
ACS Catalysis, 2018, 8, 7397
4515562 CIFC37 H46 Cu N3P 1 21/n 112.411; 12.765; 21.416
90; 95.043; 90
3379.7Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi
Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups
ACS Catalysis, 2018, 8, 6791
4515563 CIFC26 H24 Cu N4 O7 S2P b c a17.7588; 13.939; 20.7682
90; 90; 90
5140.96Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank
Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism
ACS Catalysis, 2018, 8, 7308
4515564 CIFC14 H13 Cu F3 N2 O7 S2P -17.9814; 11.0894; 11.102
96.461; 100.176; 110.007
892.77Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank
Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism
ACS Catalysis, 2018, 8, 7308
4515565 CIFC14 H14 O3P c a 2111.7373; 4.431; 21.078
90; 90; 90
1096.2Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve
Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides
ACS Catalysis, 2018, 8, 7439
4515566 CIFC14 H14 O3P c c n6.6399; 17.0733; 19.2759
90; 90; 90
2185.2Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve
Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides
ACS Catalysis, 2018, 8, 7439
4515567 CIFC15 H18 O2P 1 21/c 114.435; 5.4011; 16.2501
90; 104.851; 90
1224.62Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve
Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides
ACS Catalysis, 2018, 8, 7439
4515568 CIFC15 H20 O2P 1 21 19.1834; 5.2643; 13.7823
90; 107.711; 90
634.72Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve
Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides
ACS Catalysis, 2018, 8, 7439
4515569 CIFC42 H70 Ce N7 O8P -110.5305; 11.181; 20.761
101.915; 91.944; 94.462
2381.4Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
ACS Catalysis, 2018, 8, 6939
4515570 CIFC32 H51 Ce N6 O8P -111.5006; 17.4646; 20.0865
67.599; 80.635; 78.648
3639.9Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
ACS Catalysis, 2018, 8, 6939
4515571 CIFC49 H66 Ce2 N11 O17C 1 2/c 122.935; 19.6202; 13.5095
90; 114.142; 90
5547.4Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
ACS Catalysis, 2018, 8, 6939
4515572 CIFC124 H174 Ce4 N21 O32C 1 2/c 115.263; 27.226; 17.096
90; 96.089; 90
7064Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
ACS Catalysis, 2018, 8, 6939
4515573 CIFC68 H102 Ce2 N8 O11C 1 2/c 127.711; 19.4594; 15.5984
90; 122.044; 90
7129.7Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi
Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere
ACS Catalysis, 2018, 8, 6939
4515574 CIFC34 H30 N2 O4P 1 21/c 113.746; 11.435; 18.615
90; 110.457; 90
2741.5Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond
Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation
ACS Catalysis, 2018, 8, 4516
4515575 CIFC25 H25 N3 O PdP 1 21/n 112.551; 9.9456; 17.6307
90; 106.171; 90
2113.72Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond
Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation
ACS Catalysis, 2018, 8, 4516
4515576 CIFC19 H17 Cl OP 21 21 215.612; 7.5305; 37.033
90; 90; 90
1565.1Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin
Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst
ACS Catalysis, 2018, 8, 4705
4515577 CIFC21 H49 N O3 P2 RuP 1 21/n 113.2573; 13.3386; 15.3535
90; 92.948; 90
2711.4Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.
Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species
ACS Catalysis, 2018, 8, 4719
4515578 CIFC51 H125 N3 O10 P6 Ru3P -115.1793; 16.5074; 16.664
88.609; 71.881; 62.825
3496Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.
Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species
ACS Catalysis, 2018, 8, 4719
4515579 CIFC19 H41 N O3 P2 RuP b c a14.17; 15.3918; 21.741
90; 90; 90
4741.8Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.
Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species
ACS Catalysis, 2018, 8, 4719
4515580 CIFC19 H35 Cl2 Mn N P2P 1 21/c 112.4393; 11.9755; 15.9077
90; 91.637; 90
2368.8Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama
Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex
ACS Catalysis, 2018, 8, 4103
4515581 CIFC7 H9 Co O5 PP 1 21/n 14.8553; 32.281; 5.6773
90; 91.788; 90
889.39Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min
Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction
ACS Catalysis, 2018, 8, 3895
4515582 CIFC25 H40 N3 O2 P2 ReP 21 21 2110.1881; 13.7426; 20.6392
90; 90; 90
2889.7Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl
Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.
ACS catalysis, 2018, 8, 4009-4016
4515583 CIFC72 H87 B N3 O2 YP 1 21/n 112.047; 17.64; 32.956
90; 96.116; 90
6964Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin
Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species
ACS Catalysis, 2018, 8, 4465
4515584 CIFC12 H6 In0.54 N O2.25C m m m7.0996; 33.5115; 16.7335
90; 90; 90
3981.2Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long
Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters
ACS Catalysis, 2018, 8, 4583
4515585 CIFC12 H6 In0.75 N O2.73C m m m7.125; 33.622; 16.583
90; 90; 90
3972.57Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long
Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters
ACS Catalysis, 2018, 8, 4583
4515586 CIFC48 H24 In2 N4 Ni O10C m m m7.0725; 33.2883; 16.666
90; 90; 90
3923.7Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long
Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters
ACS Catalysis, 2018, 8, 4583
4515587 CIFC26 H28 F6 Mn N4 O6 S2P 4318.28107; 18.28107; 36.923
90; 90; 90
12339.6Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei
Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant
ACS Catalysis, 2018, 8, 4528
4515588 CIFC28 H24 B F12 PP -113.414; 13.786; 18.1493
101.69; 106.173; 109.985
2859.7Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
ACS Catalysis, 2018, 8, 4459
4515589 CIFC28 H26 B F12 PP 1 21/n 110.6496; 15.3406; 18.042
90; 95.278; 90
2935Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
ACS Catalysis, 2018, 8, 4459
4515590 CIFC28 H27 B2 F12 PP -111.7104; 12.4425; 12.4488
71.092; 69.578; 64.329
1499.65Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
ACS Catalysis, 2018, 8, 4459
4515591 CIFC72 H94 Co2 N6P 1 21/n 111.1904; 12.5885; 22.6178
90; 99.722; 90
3140.42Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme
Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines
ACS Catalysis, 2018, 8, 4446
4515592 CIFC31 H48 Co N2 O SiP 1 21/n 117.0369; 10.7343; 17.0418
90; 93.483; 90
3110.83Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme
Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines
ACS Catalysis, 2018, 8, 4446
4515593 CIFC31 H45 Cl2 Co Li N2 O2P 41 21 212.0633; 12.0633; 21.8421
90; 90; 90
3178.53Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme
Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines
ACS Catalysis, 2018, 8, 4446
4515594 CIFC39 H49 N3 O Si ZnP 1 21/n 18.8505; 21.914; 19.0059
90; 100.646; 90
3622.7Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515595 CIFC22.5 H38.5 N3 ZnP 1 21/c 114.8856; 21.731; 16.0804
90; 113.482; 90
4770.9Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515596 CIFC22 H35 N3 O2 ZnP 1 21/c 123.041; 10.016; 22.532
90; 117.531; 90
4611Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515597 CIFC50 H86 N6 Zn2C 1 2/c 121.7365; 14.2049; 20.3579
90; 102.81; 90
6129.4Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515598 CIFC55 H93 N6 O4 Zn2P -112.7688; 13.881; 17.4955
76.808; 73.779; 84.324
2896.9Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515599 CIFC51 H86 N6 O2 Zn2P -116.1366; 16.5978; 23.3164
98.9; 90.984; 119.052
5362.53Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515600 CIFC60 H84 N4 O4 Zn2P -113.4707; 14.5272; 16.2991
88.145; 89.86; 65.496
2900.6Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng
Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity
ACS Catalysis, 2018, 8, 4710
4515601 CIFC10 H12 Fe N11 OP 1 21/n 110.82; 12.675; 11.662
90; 106.559; 90
1533Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao
Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands.
ACS catalysis, 2018, 8, 4473-4482
4515602 CIFC44 H54 N4 NiP 21 21 2110.1006; 18.0014; 42.163
90; 90; 90
7666.3Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen
Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway
ACS Catalysis, 2018, 8, 3733
4515603 CIFC110 H136 Cl3 N9 Ni3P 1 21/c 126.6781; 16.5463; 22.7174
90; 90.462; 90
10027.7Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen
Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway
ACS Catalysis, 2018, 8, 3733

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