Crystallography Open Database

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4516016 CIFC20 H26 Cl F6 N3 P RhP 1 21/c 114.831; 8.5492; 18.749
90; 104.09; 90
2305.7Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta
To "Rollover" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.
ACS omega, 2018, 3, 1614-1620
4516017 CIFC24 H22 F6 N3 PC 1 2/c 124.1002; 15.1276; 13.5007
90; 116.068; 90
4421.4Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta
To "Rollover" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.
ACS omega, 2018, 3, 1614-1620
4516018 CIFC24 H28 Cl F6 N3 P RhP 1 21/n 19.1839; 27.796; 9.7373
90; 94.388; 90
2478.4Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta
To "Rollover" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.
ACS omega, 2018, 3, 1614-1620
4516019 CIFC36 H48 Cl2 N4 O RuP -111.612; 13.3307; 13.8927
62.692; 85.611; 70.196
1789.83Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit
Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.
ACS omega, 2018, 3, 1922-1938
4516020 CIFC34 H44 Cl5 N3 O RuP -111.04197; 13.3361; 13.4517
69.6572; 83.3894; 82.6029
1836.57Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit
Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.
ACS omega, 2018, 3, 1922-1938
4516021 CIFC30 H39 Cl2 N3 O2 RuP -19.9088; 11.7379; 14.6956
109.254; 99.6774; 107.508
1469.48Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit
Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.
ACS omega, 2018, 3, 1922-1938
4516022 CIFC46 H56 Ag2 N6 O2P 1 21/n 19.8105; 15.9779; 14.0138
90; 106.163; 90
2109.85Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit
Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.
ACS omega, 2018, 3, 1922-1938
4516023 CIFC33 H29 N2 O7 S2P -111.585; 11.6149; 13.2151
99.42; 113.923; 103.89
1508.1Wang, Ai-Fang; Hao, Wen-Juan; Zhu, Yi-Long; Li, Guigen; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo
Double SO<sub>2</sub> Insertion into 1,7-Diynes Leading to Functionalized Naphtho[1,2-<i>c</i>]thiophene 2,2-dioxides.
ACS omega, 2018, 3, 1482-1491
4516024 CIFC25 H33 Cl2 N3 PdP 1 21/n 18.6965; 13.393; 21.541
90; 95.392; 90
2497.8Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit
One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.
ACS omega, 2018, 3, 1740-1756
4516025 CIFC24 H31 Cl2 N3 PdP n a 2114.7426; 8.5735; 19.6079
90; 90; 90
2478.35Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit
One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.
ACS omega, 2018, 3, 1740-1756
4516026 CIFC24 H30 Cl2 N3 O PdP 1 21/n 18.6515; 13.5074; 21.4232
90; 98.636; 90
2475.12Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit
One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.
ACS omega, 2018, 3, 1740-1756
4516027 CIFC22 H30 Cl N O4P 21 21 218.5727; 9.0053; 26.1687
90; 90; 90
2020.22Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516028 CIFC21.488 H33.976 N O3P 21 21 217.8673; 9.5188; 26.3409
90; 90; 90
1972.6Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516029 CIFC24 H33 N O5P 18.3874; 10.6644; 13.5952
69.268; 89.374; 71.779
1073.44Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516030 CIFC21 H32 Cl N O2P 21 21 217.4614; 9.6133; 28.5458
90; 90; 90
2047.55Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516031 CIFC22 H32 Cl N O4P 21 21 219.0105; 13.7999; 33.4435
90; 90; 90
4158.5Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516032 CIFC46 H70 N2 O8P 21 21 2112.707; 18.741; 19.0369
90; 90; 90
4533.5Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516033 CIFC21 H30 Cl N O2P 1 21 110.1135; 8.7052; 11.4139
90; 113.189; 90
923.7Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
ACS omega, 2018, 3, 1912-1921
4516034 CIFC21 H20 Cl N3 O5P 1 21/c 120.5724; 9.8586; 9.7866
90; 97.143; 90
1969.47Joshi, Mayank; Roy Choudhury, Angshuman
Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.
ACS omega, 2018, 3, 2406-2416
4516035 CIFC37 H40 Cl2 N6 O8P 1 21/c 121.344; 9.9544; 17.4685
90; 102.041; 90
3629.8Joshi, Mayank; Roy Choudhury, Angshuman
Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.
ACS omega, 2018, 3, 2406-2416
4516036 CIFC40 H42 Cl2 N6 O10P -19.2238; 12.4815; 17.0725
86.285; 89.375; 82.224
1943.33Joshi, Mayank; Roy Choudhury, Angshuman
Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.
ACS omega, 2018, 3, 2406-2416
4516037 CIFC38 H48 Cl2 N6 O11P 1 21/c 115.721; 19.4546; 25.7568
90; 97.94; 90
7802.1Joshi, Mayank; Roy Choudhury, Angshuman
Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.
ACS omega, 2018, 3, 2406-2416
4516038 CIFC22.75 H23 Cl2 Fe N12 O12.75P -111.085; 16.394; 17.644
71.995; 83.901; 83.563
3021.4Kimura, Akifumi; Ishida, Takayuki
Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.
ACS omega, 2018, 3, 6737-6747
4516039 CIFC23 H24 Br2 Cl2 Fe N6 O13P -19.678; 9.79; 16.669
85.581; 80.683; 81.201
1538Kimura, Akifumi; Ishida, Takayuki
Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.
ACS omega, 2018, 3, 6737-6747
4516040 CIFC34 H36 Cl2 Fe N8 O14P 21 21 2114.284; 15.268; 17.484
90; 90; 90
3813.1Kimura, Akifumi; Ishida, Takayuki
Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.
ACS omega, 2018, 3, 6737-6747
4516041 CIFC8 H12 F6 O6 Pt S2P 1 21/c 110.4074; 8.6512; 18.1328
90; 101.926; 90
1597.37Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516042 CIFC24 H24 F3 N3 O5P 1 21/c 117.013; 8.5689; 16.9747
90; 105.959; 90
2379.24Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516043 CIFC47 H49 Cl N6 O2 PtP -112.0242; 13.0156; 14.2406
91.582; 102.85; 102.152
2117.7Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516044 CIFC46 H45 F3 N6 O2 PtP -112.8497; 13.011; 14.5696
113.345; 91.507; 100.935
2181.88Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516045 CIFC26 H28 F3 N3 O3 Pt SP 1 21/c 120.2522; 8.1634; 15.925
90; 94.862; 90
2623.36Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516046 CIFC26 H28 F3 N3 O6 Pt SP b c a20.8435; 7.8008; 34.8632
90; 90; 90
5668.6Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516047 CIFC44 H46 Cl2 N6 PtP -111.2411; 13.8079; 14.6138
90.265; 106.81; 109.349
2036Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516048 CIFC44 H44 Cl2 N6 Pt2P 1 21/n 19.7792; 18.2967; 11.3037
90; 98.915; 90
1998.1Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516049 CIFC57 H64 Cl2 N6 Pt2P -111.4693; 15.1911; 16.1768
99.025; 105.146; 106.101
2532.71Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516050 CIFC49 H46 Cl2 F6 N6 O4 Pt2P 1 21/n 112.3755; 18.4144; 22.6884
90; 94.834; 90
5152Mishra, Vishwesh; Thirupathi, Natesan
Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
ACS omega, 2018, 3, 6075-6090
4516051 CIFC25 H19 N11 O4C 1 2/c 120.463; 8.8637; 14.0198
90; 111.426; 90
2367.1De, Avik; Mondal, Raju
Toxic Metal Sequestration Exploiting a Unprecedented Low-Molecular-Weight Hydrogel-to-Metallogel Transformation.
ACS omega, 2018, 3, 6022-6030
4516052 CIFC19 H14 Ag Cl N4 O4P 1 21/n 17.1699; 20.7822; 12.9758
90; 102.72; 90
1886.02Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa
[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.
ACS omega, 2018, 3, 7027-7035
4516053 CIFC20 H17 Ag N4 O4I 1 2/a 112.3045; 14.5456; 21.5645
90; 97.044; 90
3830.4Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa
[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.
ACS omega, 2018, 3, 7027-7035
4516054 CIFC19 H15 Ag N4 O4P 1 21/c 19.0545; 9.0558; 21.896
90; 91.239; 90
1794.96Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa
[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.
ACS omega, 2018, 3, 7027-7035
4516055 CIFC14 H21 N O5P 1 21/n 110.275; 9.5886; 14.718
90; 97.405; 90
1438Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao
Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.
ACS omega, 2018, 3, 5994-6005
4516056 CIFC29 H33 F N2 O6P -111.496; 12.24; 13.457
79.41; 67.16; 71.68
1652.5Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao
Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.
ACS omega, 2018, 3, 5994-6005
4516057 CIFC16 H22 F3 N O5P 1 21/c 18.7813; 8.4703; 24.136
90; 93.158; 90
1792.5Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao
Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.
ACS omega, 2018, 3, 5994-6005
4516058 CIFC25 H26 F N O4P 1 21/c 111.1233; 16.7726; 12.5093
90; 114.965; 90
2115.8Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao
Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.
ACS omega, 2018, 3, 5994-6005
4516059 CIFC63.5 H118 N12 O16.5P 110.612; 17.232; 21.162
88.192; 87.296; 79.182
3796Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke
Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.
ACS omega, 2018, 3, 6395-6399
4516060 CIFC24 H36 Cl2 N Nb O3P 1 21/c 113.572; 9.116; 21.854
90; 103.824; 90
2625.5Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181
4516061 CIFC30 H32 Cl2 N Nb O3P -19.9108; 12.5655; 13.0149
95.967; 101.025; 106.341
1505.05Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181
4516062 CIFC39 H64 Cl2 N3 Nb OP 1 21/c 115.469; 10.6814; 24.897
90; 93.169; 90
4107.5Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181
4516063 CIFC40 H66 N3 Nb OP -112.5502; 14.0719; 23.5634
89.366; 88.443; 75.219
4022.2Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181
4516064 CIFC45 H55 F15 N3 Nb O3P -111.3778; 12.9307; 18.995
86.879; 81.525; 77.672
2699.58Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181
4516065 CIFC39 H64 F9 N4 Nb OP 1 21/n 111.7181; 18.3197; 20.1982
90; 91.823; 90
4333.79Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
ACS omega, 2018, 3, 6166-6181

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