Crystallography Open Database

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1543054 CIF
HKL
C6 H12 O6P c a 2111.8577; 7.01486; 8.68032
90; 90; 90
722.03Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
On the correlation between hydrogen bonding and melting points in the inositols
IUCrJ, 2013, 1, 61-73
1543055 CIF
HKL
C6 H12 O6P 216.86637; 9.12272; 6.21914
90; 106.596; 90
373.338Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
On the correlation between hydrogen bonding and melting points in the inositols
IUCrJ, 2013, 1, 61-73
1543056 CIF
HKL
C6 H12 O6P 21/c10.1435; 8.1542; 8.6239
90; 92.3556; 90
712.7Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
On the correlation between hydrogen bonding and melting points in the inositols
IUCrJ, 2013, 1, 61-73
1543057 CIFC24 H44 N4 O6 SP 1 21/n 116.9274; 16.3647; 20.8867
90; 103.701; 90
5621.2Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.
In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.
Soft matter, 2016, 12, 4221
1543058 CIFC18 H20 F6 K2 N4 O10 S2P 1 21/n 19.22908; 7.25364; 38.9707
90; 95.7583; 90
2595.71Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.
In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.
Soft matter, 2016, 12, 4221
1543059 CIFC4 H10 ZnI 41 m d9.893; 9.893; 5.3
90; 90; 90
518.7Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1543060 CIFC2 H6 ZnP 42/m n m6.849; 6.849; 4.182
90; 90; 90
196.2Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1543061 CIFC2 H6 ZnP 1 21/n 17.457; 7.497; 7.484
90; 114.12; 90
381.9Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander
The Solid-State Structures of Dimethylzinc and Diethylzinc
Angewandte Chemie International Edition, 2011, 50, 11685
1543062 CIF
HKL
C64 H74 N4P 1 21/n 114.527; 10.721; 36.004
90; 97.459; 90
5560Williams, Owen M.; Cowley, Alan H.
(4<i>Z</i>,5<i>E</i>,9<i>E</i>,10<i>Z</i>)-<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine
IUCrData, 2016, 1, x160484
1543063 CIF
HKL
Paper
C15 H10 Br N O2P 21 21 214.5205; 13.4538; 21.0436
90; 90; 90
1279.83Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen
1-Benzyl-5-bromoindoline-2,3-dione
IUCrData, 2016, 1, x160559
1543064 CIF
HKL
C26 H16 N2 OP 1 21/c 115.984; 4.8453; 23.071
90; 93.835; 90
1782.8Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen
(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol
IUCrData, 2016, 1, x160543
1543065 CIF
HKL
Paper
C20 H13 Br2 N O3P 1 21 19.4796; 7.155; 13.651
90; 90.968; 90
925.8Fang, Xiaoqin; Wang, Yifeng
(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan
IUCrData, 2016, 1, x160515
1543066 CIF
HKL
Paper
C18 H26 Cl2 N2 OP 19.9172; 10.001; 10.4124
86.863; 84.173; 66.037
938.73Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha
<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide
IUCrData, 2016, 1, x160554
1543067 CIFC27 H30 B F4 N3 O2P -17.8922; 12.0779; 13.8862
67.02; 84.303; 85.759
1211.69Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543068 CIFC28 H29 B F4 N2 O3P n 21 a22.69881; 21.08434; 10.5946
90; 90; 90
5070.46Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543069 CIFC27 H29 Cl N2 O3P 1 21/n 17.9972; 20.6791; 13.5143
90; 90.901; 90
2234.65Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543070 CIFC31 H35 B Cl2 F4 N2 O4P -110.9867; 12.0208; 13.2458
82.687; 66.161; 79.273
1569.51Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543071 CIFC31 H36 B F4 N3 O3P -18.8012; 13.0835; 14.2973
108.555; 106.512; 97.631
1450.56Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543072 CIFC35.5 H42 B F4 N3 O3P -111.0563; 13.288; 14.0408
115.683; 92.594; 112.243
1665.64Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543073 CIFC31 H35 B Cl2 F4 N2 O3 SP -111.1714; 11.8849; 13.3323
84.422; 65.83; 79.905
1589.32Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543074 CIFC28 H31 B F4 N2 O3P -17.8446; 12.7594; 13.7549
69.935; 78.524; 82.802
1264.91Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543075 CIFC27 H29 B F4 N2 O2I 1 2/a 110.025; 19.7722; 12.5456
90; 95.411; 90
2475.7Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543076 CIFC27 H29 N5 O10P -111.8159; 14.3381; 17.9959
78.648; 84.294; 66.016
2730.4Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.
Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range
Chem. Sci., 2016, 7, 4685
1543077 CIFC98 H112 Cl4 Ni6 S12P -111.1685; 12.4485; 18.1823
77.032; 82.429; 89.334
2441.5Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad
Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.
Nanoscale, 2016, 8, 9695-9703
1543078 CIFC64 H72 Ni4 S8P -112.957; 15.3918; 16.9527
86.571; 70.541; 73.4
3052.6Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad
Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.
Nanoscale, 2016, 8, 9695-9703
1543079 CIFAg4 Mg4 Sb4F -4 3 m6.7004; 6.7004; 6.7004
90; 90; 90
300.817Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.
Abinitio determination of crystal structures of the thermoelectric material MgAgSb
Physical Review B, 2012, 85, 144120
1543080 CIFAg2 Mg2 Sb2P 4/n m m :24.41991; 4.41991; 6.8896
90; 90; 90
134.593Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.
Abinitio determination of crystal structures of the thermoelectric material MgAgSb
Physical Review B, 2012, 85, 144120
1543081 CIFAg16 Mg16 Sb16I -4 c 29.1761; 9.1761; 12.696
90; 90; 90
1069.01Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.
Abinitio determination of crystal structures of the thermoelectric material MgAgSb
Physical Review B, 2012, 85, 144120
1543082 CIF
HKL
Paper
C10 H26 N4 O12 PbP 21 21 215.4311; 13.6861; 27.34
90; 90; 90
2032.2Bernès, Sylvain; Gasque, Laura
Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K
IUCrData, 2016, 1, x160539
1543083 CIF
HKL
C24 H21 N3 O SP 1 21/c 115.8392; 12.9075; 10.3997
90; 103.354; 90
2068.7Kamni; Singh, Vikram D.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni
(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
IUCrData, 2016, 1, x160587
1543084 CIF
HKL
Paper
C20 H20 Fe O4P 1 21 19.8263; 7.4617; 11.9888
90; 91.956; 90
878.52Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig
5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione
IUCrData, 2016, 1, x160569
1543085 CIF
HKL
Paper
C11 H19 N3 SP 21 21 217.957; 10.796; 13.673
90; 90; 90
1174.6N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha
(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide
IUCrData, 2016, 1, x160573
1543086 CIFC22 H17 N3 O2 SP 1 21/c 120.6796; 5.4004; 17.2537
90; 104.299; 90
1867.2Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni
(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
IUCrData, 2016, 1, x160566
1543087 CIF
HKL
Paper
C9 H9 N3 O2P 21 21 216.7563; 11.2307; 11.7323
90; 90; 90
890.22Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.
1-Ethyl-5-nitro-1<i>H</i>-indazole
IUCrData, 2016, 1, x160567
1543088 CIF
HKL
Paper
C20 H32 O3P 1 21/c 14.2047; 34.146; 13.347
90; 97.67; 90
1899.1Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen
1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i>
IUCrData, 2016, 1, x160577
1543089 CIF
HKL
C21 H13 N3 O2P 1 21/c 112.4764; 7.8471; 16.7265
90; 90.478; 90
1637.53Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G.
5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile
IUCrData, 2016, 1, x160586
1543090 CIF
HKL
Paper
C13 H10 N2 O5P 1 21/n 17.4998; 13.835; 12.2324
90; 107.474; 90
1210.7Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.
5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one
IUCrData, 2016, 1, x160527
1543091 CIF
HKL
Paper
C30 H19 N3 OP -110.2688; 10.5322; 11.2934
111.72; 93.883; 91.653
1130.18Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.
5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile
IUCrData, 2016, 1, x160526
1543092 CIFC40 H112 Dy I3 N8 O10 P4P -113.7628; 14.6969; 20.612
92.199; 108.292; 115.12
3512Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy
An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature
Chem. Sci., 2016, 7, 5181
1543093 CIFC40 H112 Er I3 N8 O10 P4P -113.737; 14.6858; 20.603
92.107; 108.177; 115.121
3505.6Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy
An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature
Chem. Sci., 2016, 7, 5181
1543094 CIFC40 H112 I3 N8 O10 P4 YP -113.7506; 14.727; 20.641
92.293; 108.245; 114.902
3528.3Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy
An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature
Chem. Sci., 2016, 7, 5181
1543095 CIFC28 H32 N4 O6 S2P -18.4474; 8.6414; 10.5047
101.755; 103.383; 98.623
714.54Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.
Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media
Chem. Sci., 2016, 7, 4563
1543096 CIFC28 H32 N4 O6 S2P -18.4511; 8.5911; 10.8922
73.717; 84.157; 69.545
711.23Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.
Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media
Chem. Sci., 2016, 7, 4563
1543097 CIFC56 H96 N6 O10 SP 1 21/c 120.3065; 12.0238; 25.441
90; 110.374; 90
5823.1Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.
Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media
Chem. Sci., 2016, 7, 4563
1543098 CIFC40 H48 N4 O14P -16.0434; 8.9035; 20.1417
101.174; 91.268; 107.342
1011.2Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.
Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media
Chem. Sci., 2016, 7, 4563
1543099 CIFC22 H19 N O3P b c a18.7479; 9.6392; 19.3565
90; 90; 90
3498Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu
Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C–H Activation
Chem. Sci., 2016
1543100 CIFC36 H63 N0 O Si2 UC 1 2/c 138.0927; 11.6377; 16.7259
90; 100.791; 90
7283.7Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543101 CIFC41 H72 N O Si2 UP 1 21/c 122.8816; 12.0603; 16.2087
90; 108.372; 90
4245Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543102 CIFC39 H72 O Si3 UP n m a16.6069; 22.4849; 11.2503
90; 90; 90
4200.9Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543103 CIFC22 H41.5 N0.5 Na0.5 O Si U0.5P 1 21/m 110.7251; 18.7626; 11.9516
90; 95.238; 90
2394.99Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543104 CIFC120 H204 N2 Na O6 Si8 U4P -112.3696; 13.4214; 21.7314
98.997; 99.477; 109.711
3261.6Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543105 CIFC55 H95 K O7 Si2 UP 1 21/m 111.1168; 19.7384; 13.01
90; 90.901; 90
2854.4Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Chem. Sci., 2016, 7, 4624
1543106 CIFC26 H33 N O5 SP 21 21 217.8163; 11.555; 26.919
90; 90; 90
2431.3Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin
Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure
Chem. Sci., 2016, 7, 4725
1543107 CIFC3 H8 N2 O6 ZnP n a 218.6706; 7.72008; 11.4872
90; 90; 90
768.93Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.
Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3
Chem. Sci., 2016, 7, 5108
1543108 CIFC3 H7.5 N1.5 O6.5 ZnP n a 218.61779; 7.73073; 11.50052
90; 90; 90
766.185Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.
Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3
Chem. Sci., 2016, 7, 5108
1543109 CIFC21 H24 N2 O4P 1 21 19.0098; 7.1744; 14.3213
90; 92.2; 90
925.05Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.
Journal of natural products, 2016, 79, 1388-1399
1543110 CIFC20 H28 N2 O4P 21 21 216.575; 14.273; 19.3071
90; 90; 90
1811.87Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.
Journal of natural products, 2016, 79, 1388-1399
1543111 CIFC19 H22 N2 OP 4110.1845; 10.1845; 14.613
90; 90; 90
1515.7Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.
Journal of natural products, 2016, 79, 1388-1399
1543112 CIFC31 H36 Cl N O10P 1 21 18.8859; 26.1897; 13.3329
90; 91.416; 90
3101.87Kashima, Kenichi; Teraoka, Kota; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken
Rhodium-Catalyzed Atroposelective [2 + 2 + 2] Cycloaddition of Ortho-Substituted Phenyl Diynes with Nitriles: Effect of Ortho Substituents on Regio- and Enantioselectivity.
Organic letters, 2016, 18, 2170-2173
1543113 CIFC50 H44 O10P 1 21 115.708; 17.744; 16.623
90; 99.335; 90
4571.8Du, Wen-Ke; Hung, Hsin-Yi; Kuo, Ping-Chung; Hwang, Tsong-Long; Shiu, Ler-Chun; Shiu, Kom-Bei; Lee, E-Jian; Tai, Shih-Huang; Wu, Tian-Shung
Dragonbloodin A1 and A2: Flavan Trimers and Anti-inflammatory Principles from Sanguis Draconis.
Organic letters, 2016
1543114 CIFC50 H43 O10P 1 21/n 115.708; 17.744; 16.623
90; 99.335; 90
4571.8Du, Wen-Ke; Hung, Hsin-Yi; Kuo, Ping-Chung; Hwang, Tsong-Long; Shiu, Ler-Chun; Shiu, Kom-Bei; Lee, E-Jian; Tai, Shih-Huang; Wu, Tian-Shung
Dragonbloodin A1 and A2: Flavan Trimers and Anti-inflammatory Principles from Sanguis Draconis.
Organic letters, 2016
1543115 CIFC8 H9 N O4P 1 21/c 18.814; 10.352; 8.529
90; 97.784; 90
771Shi, Shan; Shi, HongWei; Li, JianLong; Li, Fei; Chen, Lei; Zhang, Chao; Huang, ZhiYan; Zhao, Na; Li, Nan; Yang, Jun
Synthesis of the BCD Tricyclic Core of Densanins A and B.
Organic letters, 2016, 18, 1949-1951
1543116 CIFC23 H33 Br2 N O6 SP 21 21 219.6422; 12.8786; 22.6372
90; 90; 90
2811.04Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen
Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.
Organic letters, 2016, 18, 1996-1999
1543117 CIFC23 H33 Br2 N O6 SP 1 21 111.7774; 14.2384; 16.4779
90; 93.145; 90
2759Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen
Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.
Organic letters, 2016, 18, 1996-1999
1543118 CIFC16 H19 Br2 Cl3 N2 O3P 21 21 218.689; 13.353; 18.075
90; 90; 90
2097.1Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen
Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.
Organic letters, 2016, 18, 1996-1999
1543119 CIFC34 H36 N2 O9C 1 2/c 123.88; 7.0491; 16.984
90; 91.271; 90
2858.3Gouthami, Pashikanti; Chegondi, Rambabu; Chandrasekhar, Srivari
Formal Total Synthesis of (±)-Cephalotaxine and Congeners via Aryne Insertion Reaction.
Organic letters, 2016, 18, 2044-2046
1543120 CIFC26 H25 Br2 F N2 O2C 1 2/c 123.25; 18.52; 15.75
90; 131.715; 90
5062Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu
Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers
Polym. Chem., 2016, 7, 3311
1543121 CIFC26 H24 Br2 F2 N2 O2C 1 2/c 123.213; 18.364; 15.662
90; 131.74; 90
4981.8Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu
Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers
Polym. Chem., 2016, 7, 3311
1543122 CIFC22 H17 Br2 F N2 O2P 1 c 112.99; 4.2334; 17.997
90; 101.476; 90
969.9Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu
Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers
Polym. Chem., 2016, 7, 3311
1543123 CIFC30 H32 Br2 F2 N2 O4P -17.389; 8.698; 12.87
70.95; 73.447; 74.305
734.9Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu
Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers
Polym. Chem., 2016, 7, 3311
1543124 CIFC29 H21 Br N2 O3 SP 19.8056; 10.1342; 13.2604
106.4; 94.409; 93.758
1255.1Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia
Rhodium(III)-Catalyzed Cascade Cyclization/Electrophilic Amidation for the Synthesis of 3-Amidoindoles and 3-Amidofurans.
Organic letters, 2016, 18, 2058-2061
1543125 CIF
HKL
Paper
C10 H8 O4P b c a13.217; 9.831; 13.627
90; 90; 90
1771Bai, Jun-Hua; Dong, Jin-Long
7-Hydroxy-4-(hydroxymethyl)coumarin
IUCrData, 2016, 1, x160598
1543126 CIF
HKL
C7 H5 Br2 N O2P -18.755; 9.533; 10.897
91.324; 90.517; 103.216
885.1Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean
Dibromonitrotoluene
IUCrData, 2016, 1, x160621
1543127 CIF
HKL
Paper
C15 H20 N4 O3 SP 1 21/c 110.5765; 11.8088; 39.1512
90; 92.618; 90
4884.72Hossain, G. M. Golzar
Sulfamerazine tetrahydrofuran monosolvate
IUCrData, 2016, 1, x160596
1543128 CIF
HKL
Paper
C8 H11 N3 O4P 21 21 214.4793; 10.3596; 21.5724
90; 90; 90
1001.04Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen
Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate
IUCrData, 2016, 1, x160588
1543129 CIF
HKL
Paper
C16 H14 N2 O2P 1 21/c 17.6842; 8.1013; 22.0669
90; 90.893; 90
1373.54Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.
4-Aminobenzoic acid–quinoline (1/1)
IUCrData, 2016, 1, x160604
1543130 CIF
HKL
Paper
C11 H11 N O2P 21 21 214.4666; 12.9169; 16.3857
90; 90; 90
945.37Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid
1-Propyl-1<i>H</i>-indole-2,3-dione
IUCrData, 2016, 1, x160609
1543131 CIF
HKL
Paper
C28 H21 Br N4 O4 SP -110.1721; 11.2475; 12.0154
79.638; 82.454; 82.371
1332.14AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.
5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate
IUCrData, 2016, 1, x160597
1543132 CIF
HKL
Paper
C11 H10 Br N O2P 1 21/c 17.7113; 8.1375; 17.8089
90; 93.83; 90
1115.03Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid
1-(3-Bromopropyl)indoline-2,3-dione
IUCrData, 2016, 1, x160593
1543133 CIF
HKL
C50 H36 N2P -115.579; 16.799; 17.332
72.622; 73.116; 84.324
4142Zhu, Liqiong; Zhao, Yan
(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent
IUCrData, 2016, 1, x160594
1543134 CIFC63 H46 Cl12 F6 Ir N4 PP 1 21/c 119.7764; 17.2133; 20.4799
90; 115.774; 90
6278.1Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne
High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.
The Analyst, 2016, 141, 3090-3097
1543135 CIFC77.25 H54.5 Cl2.5 F6 Ir N4 PP -113.1487; 23.0231; 23.3516
67.2098; 75.538; 78.319
6266.3Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne
High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.
The Analyst, 2016, 141, 3090-3097
1543136 CIFC2 Bi Cl6 K N2R -3 m7.8372; 7.8372; 20.9938
90; 90; 120
1116.72Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.
The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)
Mater. Horiz., 2016, 3, 328
1543137 CIFAl20 Sc V2F d -3 m :214.4978; 14.4978; 14.4978
90; 90; 90
3047.24Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.
Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
Physical Review B, 2016, 93, 134507-134507
1543138 CIFAl20 V2 YF d -3 m :214.5378; 14.5378; 14.5378
90; 90; 90
3072.53Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.
Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
Physical Review B, 2016, 93, 134507-134507
1543139 CIFAl20 La V2F d -3 m :214.6219; 14.6219; 14.6219
90; 90; 90
3126.16Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.
Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
Physical Review B, 2016, 93, 134507-134507
1543140 CIFAl20 Lu V2F d -3 m :214.513; 14.513; 14.513
90; 90; 90
3056.83Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.
Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
Physical Review B, 2016, 93, 134507-134507
1543141 CIFC52 H38 Cl2 F3 N2 O7 P SP -113.4369; 13.7007; 15.474
71.074; 67.743; 66.374
2364.9Nishikawa, Yasuhiro; Nakano, Saki; Tahira, Yuu; Terazawa, Kanako; Yamazaki, Ken; Kitamura, Chitoshi; Hara, Osamu
Chiral Pyridinium Phosphoramide as a Dual Brønsted Acid Catalyst for Enantioselective Diels-Alder Reaction.
Organic letters, 2016, 18, 2004-2007
1543142 CIFC90 H21 Cl F5 NP -113.9563; 14.4188; 15.4405
91.044; 108.456; 109.296
2755.5Lou, Ning; Li, Yanbang; Cui, Chengxing; Liu, Yajun; Gan, Liangbing
Preparation of Azafullerene C59NR5 and Fullerene Derivative C60NAr5 with a Pyridine Moiety on the Cage Skeleton.
Organic letters, 2016, 18, 2236-2239
1543143 CIF
HKL
Paper
C19 H29 B O3P 1 21/c 110.0293; 18.123; 10.7973
90; 97.475; 90
1945.8Li, Kai-Xiao; Wang, Xiao-Juan
4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane
IUCrData, 2016, 1, x160611
1543144 CIF
HKL
Paper
C12 H9 Br2 N O2 SP 1 21/n 15.0643; 12.8006; 20.554
90; 91.076; 90
1332.2Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.
4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide
IUCrData, 2016, 1, x160631
1543145 CIF
HKL
Paper
C13 H17 B F4 N2 O2P 1 21/c 17.7265; 13.4792; 14.5827
90; 96.073; 90
1510.22Bouzid, Mouna; Hrizi, Chakib; Kammoun, Majed
1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate
IUCrData, 2016, 1, x160619
1543146 CIF
HKL
Paper
C37.8 H59.2 O6P 21 21 2111.64797; 12.20869; 25.7274
90; 90; 90
3658.6Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo
(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate
IUCrData, 2016, 1, x160622
1543147 CIFC20 H28 O5P 1 21 16.1031; 8.4657; 18.0015
90; 94.016; 90
927.8Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui
(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.
Journal of natural products, 2016, 79, 1322-1328
1543148 CIFC20 H30 O6P 21 21 219.9306; 13.3269; 14.2698
90; 90; 90
1888.5Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui
(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.
Journal of natural products, 2016, 79, 1322-1328
1543149 CIFC25 H28 O7P 21 21 2111.6475; 12.2234; 15.9268
90; 90; 90
2267.5Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun
Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.
Journal of natural products, 2016, 79, 1415-1422
1543150 CIFC24 H28 O10.79P 1 21 112.6572; 6.67349; 15.317
90; 97.611; 90
1282.39Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun
Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.
Journal of natural products, 2016, 79, 1415-1422
1543151 CIFC19 H30 O2C 1 2/c 126.8752; 11.059; 12.0165
90; 111.962; 90
3312.28Parthasarathy, Gowrisankar; Eggert, Ulrike; Kalesse, Markus
Synthesis of (+)-Omphadiol and (+)-Pyxidatol C.
Organic letters, 2016, 18, 2320-2322
1543152 CIFC21 H18 F3 N O3P 21 21 216.0481; 15.9843; 19.4099
90; 90; 90
1876.45Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.
“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones
Organic Letters, 2016
1543153 CIFC20 H18 Cl N O3P 1 21 15.9375; 12.3627; 12.7571
90; 99.297; 90
924.12Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.
“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones
Organic Letters, 2016
1543154 CIFC20 H18 Br N O3P 1 21 15.9479; 12.3464; 12.9363
90; 99.635; 90
936.58Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.
“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones
Organic Letters, 2016
1543155 CIFC20 H17 Br2 N O3P 21 21 216.04125; 9.8526; 31.9892
90; 90; 90
1904.06Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.
“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones
Organic Letters, 2016
1543156 CIFC20 H24 N4 O4P -17.8318; 10.2287; 13.5191
108.782; 106.051; 94.161
969.7Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François
A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.
Organic letters, 2016, 18, 2252-2255
1543157 CIFC22 H28 N4 O4P 1 21/c 115.0264; 19.058; 15.9395
90; 112.057; 90
4230.6Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François
A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.
Organic letters, 2016, 18, 2252-2255
1543158 CIFC20 H23 N3 O4 SP 1 21 18.514; 22.5; 11.0395
90; 107.154; 90
2020.71Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François
A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.
Organic letters, 2016, 18, 2252-2255
1543159 CIFC20 H22 N4 O6P 1 21/c 19.5426; 13.1663; 16.2954
90; 101.215; 90
2008.3Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François
A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.
Organic letters, 2016, 18, 2252-2255
1543160 CIFC26 H20 OP -18.8; 10.295; 21.034
90.156; 93.24; 91.754
1902Luo, Lei; Zheng, Huayu; Liu, Jingjing; Wang, Hui; Wang, Yaoyu; Luan, Xinjun
Highly Chemo- and Regioselective Construction of Spirocarbocycles by a Pd(0)-Catalyzed Dearomatization of Phenol-Based Biaryls with 1,3-Dienes.
Organic letters, 2016, 18, 2082-2085
1543161 CIFC28 H40 O5P 21 21 218.7878; 20.2223; 29.819
90; 90; 90
5299.1Hu, Linzhen; Zhang, Yu; Zhu, Hucheng; Liu, Junjun; Li, Hua; Li, Xiao-Nian; Sun, Weiguang; Zeng, Junfen; Xue, Yongbo; Zhang, Yonghui
Filicinic Acid Based Meroterpenoids with Anti-Epstein-Barr Virus Activities from Hypericum japonicum.
Organic letters, 2016, 18, 2272-2275
1543162 CIFC17 H13 N O3 SP 1 21/c 121.2968; 7.11439; 21.9163
90; 108.646; 90
3146.32Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong
UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.
Organic letters, 2016, 18, 2280-2283
1543163 CIFC16 H10 F N O3 SP 1 21 16.8436; 10.3886; 9.9058
90; 104.893; 90
680.6Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong
UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.
Organic letters, 2016, 18, 2280-2283
1543164 CIFC71 H66P -111.5438; 13.25; 19.248
84.314; 82.576; 64.917
2640.9Uchida, Yosuke; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Matsuda, Kenji
Synthesis and Photophysical Properties of a 13,13'-Bibenzo[b]perylenyl Derivative as a π-Extended 1,1'-Binaphthyl Analog.
Organic letters, 2016, 18, 2118-2121
1543165 CIF
HKL
Paper
C17 H13 N O2P b c a8.2585; 7.2677; 44.4667
90; 90; 90
2668.9Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid
1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione
IUCrData, 2016, 1, x160633
1543166 CIF
HKL
Paper
C22 H22 Cl N3 O SP 1 21/c 19.7478; 25.2229; 8.6354
90; 101.733; 90
2078.8Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Tenorio, Juan C.; Ellena, Javier
3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one
IUCrData, 2016, 1, x160608
1543167 CIF
HKL
Paper
C21 H20 N2 O3P 1 21 19.5461; 11.8724; 15.9962
90; 90.104; 90
1812.93Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.
<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination
IUCrData, 2016, 1, x160662
1543168 CIF
HKL
Paper
C18 H12 O6P -18.5765; 9.8469; 10.2677
78.903; 79.552; 68.655
786.65Katzsch, Felix; Gruber, Tobias; Weber, Edwin
Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate
IUCrData, 2016, 1, x160629
1543169 CIF
HKL
C12 H19 N3P 1 21/c 110.5993; 9.7641; 12.4435
90; 109.065; 90
1217.17Zhao, Ningfeng; Akwataghibe, Kelechi; Pompilius, Arielle; Shelly, Everett
3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile
IUCrData, 2016, 1, x160673
1543170 CIF
HKL
Paper
C50 H62 Cl8 Fe2 N2 Na2 O7 S8C 1 2/c 129.063; 9.9393; 25.645
90; 121.609; 90
6309Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]
IUCrData, 2016, 1, x160643
1543171 CIF
HKL
C12 H14 O2P -15.7634; 8.2218; 12.0915
105.541; 102.539; 97.4291
528.03Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.
(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one
IUCrData, 2016, 1, x160610
1543172 CIF
HKL
Paper
C30 H24 Cl N3 O4 SP 1 21/c 18.8388; 17.7686; 16.9487
90; 94.159; 90
2654.84Bakhite, Etify A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Al-Taifi, Elham A.
Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate
IUCrData, 2016, 1, x160657
1543173 CIF
HKL
Paper
C16 H15 N3 O5 ZnP 1 21/n 18.9885; 15.43; 11.4182
90; 91.806; 90
1582.8Lee, Do Nam; Kim, Youngmee
<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]
IUCrData, 2016, 1, x160636
1543174 CIF
HKL
Paper
C48 H42 Cl2 N10 O5 S2P -110.733; 16.0616; 20.9885
96.662; 102.673; 98.067
3454.5Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.
<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate
IUCrData, 2016, 1, x160627
1543175 CIF
HKL
Paper
C16 H12 N4 O SP 1 21/c 15.985; 21.0709; 11.5617
90; 100.423; 90
1433.98Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.
3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole
IUCrData, 2016, 1, x160626
1543176 CIF
HKL
C17 H16 N2 OP b c a16.5042; 9.6896; 18.1221
90; 90; 90
2898.07Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one
IUCrData, 2016, 1, x160661
1543177 CIF
HKL
C16 H15 N OP 1 21/c 112.4817; 12.3107; 8.5737
90; 94.276; 90
1313.75Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies
<i>N</i>-Benzylcinnamamide
IUCrData, 2016, 1, x160647
1543178 CIF
HKL
Paper
C27 H24 Cl N OP 1 21/c 17.2562; 16.4818; 18.0306
90; 95.149; 90
2147.67Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P.
2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one
IUCrData, 2016, 1, x160644
1543179 CIF
HKL
Paper
C21 H24 Cl N3 O2 SP 1 21/c 17.2363; 24.26; 12.9049
90; 105.603; 90
2182Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.
Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate
IUCrData, 2016, 1, x160651
1543180 CIF
HKL
Paper
C16 H13 N3 O3 SP 1 21/c 126.289; 15.132; 7.403
90; 95.179; 90
2933Benosmane, A.; Rouag, D. A.; Mili, A.; Merazig, H.; Benaouida, M. A.
(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium
IUCrData, 2016, 1, x160658
1543181 CIFC16 H11 Br N2 O3P 1 21/c 17.593; 11.744; 16.592
90; 99.277; 90
1460.2Jeong, Jinseong; Park, Sehoon; Chang, Sukbok
Iridium-catalyzed selective 1,2-hydrosilylation of N-heterocycles
Chem. Sci., 2016, 7, 5362
1543182 CIFC27 H28 F3 N3 O4 SP -19.1633; 9.3697; 16.2725
80.079; 75.592; 68.886
1257.03Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.
Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells
Chem. Sci., 2016, 7, 5069
1543183 CIFC30 H44 B20 Ni P2P -111.2679; 13.3101; 15.2998
100.653; 107.431; 110.833
1933.8Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543184 CIFC54 H68 B20 P2 PdP 1 21/c 121.7659; 10.9289; 25.019
90; 96.4644; 90
5913.6Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543185 CIFC30 H44 B20 P2 PtP -111.2436; 13.3586; 15.2381
102.533; 106.157; 111.37
1913.1Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543186 CIFC32 H64 B20 N2 O2 PtP -110.7808; 14.3611; 15.6014
63.9504; 79.9962; 76.7773
2105.1Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543187 CIFC64 H130 B40 N4 O Pt2P -110.8488; 13.1236; 16.511
112.701; 97.749; 94.541
2126.6Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543188 CIFC12 H38 B20P 1 21/n 17.2892; 17.2701; 9.625
90; 97.582; 90
1201.05Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
Luminescent metal complexes featuring photophysically innocent boron cluster ligands
Chem. Sci., 2016, 7, 5132
1543189 CIFC27 H20 OP 1 21 110.298; 9.153; 10.795
90; 104.69; 90
984.25Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
Chem. Sci., 2016, 7, 5307
1543190 CIFC27 H18 OP 1 21/c 111.475; 8.27; 20.338
90; 103.7; 90
1875.13Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
Chem. Sci., 2016, 7, 5307
1543191 CIFC27 H20 OP 1 21 19.9253; 9.3614; 22.1685
90; 99.015; 90
2034.3Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
Chem. Sci., 2016, 7, 5307
1543192 CIFC28 H20 O2P n a 2120.259; 10.585; 9.94
90; 90; 90
2131.55Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
Chem. Sci., 2016, 7, 5307
1543193 CIFC28 H22 OP -19.075; 11.785; 19.801
81.99; 81.95; 89.78
2076.1Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.
Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design
Chem. Sci., 2016, 7, 5307
1543194 CIFC106 H210 Gd7 N8 O45P -6 2 c16.9152; 16.9152; 31.3646
90; 90; 120
7771.9Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.
Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet
Chem. Sci., 2016, 7, 4891
1543195 CIFC31 H30 Cl2 N6 O2 Ru SP -19.5443; 12.2675; 13.2983
68.395; 89.878; 84.475
1439.98van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre
Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites
Chem. Sci., 2016, 7, 4922
1543196 CIFC13 H13 Cl N4 O3P 1 21 17.7686; 6.4525; 13.9164
90; 91.238; 90
697.42McCallum, T.; Barriault, L.
Direct alkylation of heteroarenes with unactivated bromoalkanes using photoredox gold catalysis
Chem. Sci., 2016
1543197 CIFC21 H12 N3 O3P 1 21/c 17.5752; 25.656; 11.692
90; 100.74; 90
2232.5Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu
First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.
Nanoscale, 2016, 8, 11224-11233
1543198 CIFC26 H14 N6 O6P -18.1387; 10.1108; 16.5691
96.538; 97.798; 107.518
1270.8Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu
First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.
Nanoscale, 2016, 8, 11224-11233
1543199 CIFC218 H328 N12 Nd8 Ni6 O94P -113.7021; 19.5675; 31.9547
103.934; 95.761; 105.409
7891.9Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
Nanoscale, 2016, 8, 11123-11129
1543200 CIFC376 H490 Cd24 Cl4 N24 O136 Yb8F d d d :254.07; 60.708; 90.132
90; 90; 90
295857Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
Nanoscale, 2016, 8, 11123-11129
1543201 CIFC376 H490 Cd24 Cl4 N24 Nd8 O136F d d d :254.405; 61.195; 91.022
90; 90; 90
303041Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
Nanoscale, 2016, 8, 11123-11129
1543202 CIFC224 H342 N12 Ni6 O98 Yb8P -113.643; 19.294; 31.918
103.53; 95.86; 106.04
7725Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
Nanoscale, 2016, 8, 11123-11129
1543203 CIFC384 H504 Cd24 N24 O144 Sm8C 2 2 256.782; 62.983; 44.704
90; 90; 90
159875Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
Nanoscale, 2016, 8, 11123-11129
1543204 CIFC42 H48 Cl12 Eu2 O33P 1 21/c 111.2593; 32.8268; 16.8592
90; 97.612; 90
6176.36Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng
A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 744-751
1543205 CIFC42 H48 Cl12 Gd2 O33P 1 21/c 111.2461; 32.8782; 16.8424
90; 97.574; 90
6173.17Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng
A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 744-751
1543206 CIFC42 H48 Cl12 O33 Tb2P 1 21/c 111.1659; 32.7362; 16.765
90; 97.458; 90
6076.3Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng
A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2016, 15, 744-751
1543207 CIFC13 H32 N3 O4 SP 1 2/n 115.4997; 7.5991; 16.524
90; 110.066; 90
1828.12Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang
Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers
Polym. Chem., 2016, 7, 3496
1543208 CIFC39 H27 NP 1 21/c 114.249; 11.262; 17.886
90; 104.314; 90
2781.1Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang
Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers
Polym. Chem., 2016, 7, 3496
1543209 CIFC26 H30 N4 S4P -18.5288; 8.7463; 9.9866
105.144; 93.192; 117.597
623.53Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
Mater. Horiz., 2016, 3, 333
1543210 CIFC36 H36 N2 O2 S2P 1 21/c 114.575; 7.664; 14.393
90; 111.28; 90
1498Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
Mater. Horiz., 2016, 3, 333
1543211 CIFC36 H36 N2 S4C 1 2/c 115.2375; 7.3024; 28.201
90; 99.461; 90
3095.3Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
Mater. Horiz., 2016, 3, 333
1543212 CIFC34 H34 N4 O2 S2P 1 21/c 114.526; 5.1215; 20.577
90; 109.041; 90
1447.1Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
Mater. Horiz., 2016, 3, 333
1543213 CIFC283 H301 Cl5 I2 N16 O34P -114.834; 16.4316; 29.3685
82.872; 88.588; 79.909
6993.2Barendt, Timothy A.; Robinson, Sean W.; Beer, Paul D.
Superior anion induced shuttling behaviour exhibited by a halogen bonding two station rotaxane
Chem. Sci., 2016, 7, 5171
1543214 CIFC25 H21 N O4P 1 21/c 16.1861; 14.2021; 22.962
90; 94.024; 90
2012.37El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543215 CIFC17 H21 N O5P 1 21/c 17.8917; 22.2343; 9.4685
90; 91.94; 90
1660.5El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543216 CIFC24 H27 N O7P c a 2122.7748; 6.0842; 16.1449
90; 90; 90
2237.1El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543217 CIFC20 H21 N O5 SP 1 21/n 17.795; 21.513; 11.4883
90; 95.42; 90
1917.9El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543218 CIFC22 H23 N O5P 17.8503; 11.0271; 17.767
75.302; 81.673; 89.125
1471.6El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
Organic letters, 2016, 18, 2383-2386
1543219 CIFC36 H44 Cl2 N4 O2 RuP 1 21/n 111.9275; 15.7557; 18.3669
90; 97.6486; 90
3420.9Williams, Michael J.; Kong, Jongrock; Chung, Cheol K.; Brunskill, Andrew; Campeau, Louis-Charles; McLaughlin, Mark
The Discovery of Quinoxaline-Based Metathesis Catalysts from Synthesis of Grazoprevir (MK-5172).
Organic letters, 2016, 18, 1952-1955
1543220 CIFC12 H8 Br N O2P 1 21 19.991; 14.1075; 15.656
90; 102; 90
2158.5Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg
Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals
IUCrJ, 2016, 3, 219-225
1543221 CIFC12 H8 Br N O2P 1 21 19.971; 14.1307; 15.65
90; 101.71; 90
2159.1Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg
Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals
IUCrJ, 2016, 3, 219-225
1543222 CIFC13 H8 Br NP 1 21 19.6028; 14.6523; 15.5726
90; 97.34; 90
2173.2Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg
Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals
IUCrJ, 2016, 3, 219-225
1543223 CIFC13 H8 Br NP 1 21 19.5964; 14.6438; 15.5585
90; 97.429; 90
2168Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg
Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals
IUCrJ, 2016, 3, 219-225
1543224 CIF
HKL
Paper
C8 H4 Cl N O2P 1 21 18.2745; 6.0367; 14.8609
90; 104.746; 90
717.86Juma, Rashid M.; Golen, James A.; Manke, David R.
4-Chloro-1<i>H</i>-indole-2,3-dione
IUCrData, 2016, 1, x160689
1543225 CIF
HKL
C11 H20 O3P 21 21 215.8932; 7.1714; 27.347
90; 90; 90
1155.8von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin
(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol
IUCrData, 2016, 1, x160697
1543226 CIF
HKL
Paper
C17 H13 Cl N2 O2 PdP 1 21/n 17.5429; 21.4003; 9.7773
90; 112.325; 90
1459.96Mili, Assia; Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bailly, Corinne
Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)
IUCrData, 2016, 1, x160691
1543227 CIF
HKL
Paper
C22 H22 N2 O2P 1 21/n 18.8711; 8.6175; 23.698
90; 99.672; 90
1785.9Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A.
5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione
IUCrData, 2016, 1, x160688
1543228 CIF
HKL
C14 H10 Br3 NP 1 21/c 117.17; 4.267; 20.22
90; 108.45; 90
1405Bezuglyi, Mkola; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas
1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole
IUCrData, 2016, 1, x160708
1543229 CIF
HKL
C8 H4 I N O2P -16.4152; 7.5089; 8.9546
110.162; 96.12; 91.997
401.43Golen, James A.; Manke, David R.
6-Iodo-1<i>H</i>-indole-2,3-dione
IUCrData, 2016, 1, x160700
1543230 CIF
HKL
Paper
C10 H9 F N4 O SP 21 21 215.7058; 10.6201; 18.8688
90; 90; 90
1143.38Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan
(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide
IUCrData, 2016, 1, x160659
1543231 CIF
HKL
Paper
C19 H22 O2P 1 21/n 110.8316; 8.7542; 17.959
90; 106.322; 90
1634.3Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene
IUCrData, 2016, 1, x160703
1543232 CIF
HKL
Paper
C34.5 H26.5 Cl N2 O2.5P -110.3848; 10.4306; 14.4513
69.394; 72.388; 70.871
1352.92Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan
15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate
IUCrData, 2016, 1, x160637
1543233 CIF
HKL
Paper
C8 H4 Cl N O2P 1 21 15.6231; 4.993; 12.5145
90; 91.916; 90
351.16Golen, James A.; Manke, David R.
6-Chloro-1<i>H</i>-indole-2,3-dione
IUCrData, 2016, 1, x160690
1543234 CIF
HKL
C16 H13 Cl N2 SP 1 21/n 115.0422; 5.6323; 17.1019
90; 102.48; 90
1414.7Suresh, Ganesan; Muniraj, Sarangapani
3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole
IUCrData, 2016, 1, x160679
1543235 CIFC22 H19 N OP b c a14.2222; 12.0292; 19.1416
90; 90; 90
3274.8Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun
Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.
Organic letters, 2016, 18, 2379-2382
1543236 CIFC20 H14 F NP 1 21/c 18.9782; 18.2579; 17.6665
90; 101.906; 90
2833.6Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun
Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.
Organic letters, 2016, 18, 2379-2382
1543237 CIFC40 H26 F3 N O3 SC 1 2/c 126.374; 7.9979; 15.0584
90; 99.855; 90
3129.5Ge, Qingmei; Hu, Yang; Li, Bin; Wang, Baiquan
Synthesis of Conjugated Polycyclic Quinoliniums by Rhodium(III)-Catalyzed Multiple C-H Activation and Annulation of Arylpyridiniums with Alkynes.
Organic letters, 2016, 18, 2483-2486
1543238 CIFLi5.05 S12 Sn4.74C 1 2/m 119.217; 3.6996; 6.529
90; 109.056; 90
438.7Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V.
Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor
Energy Environ. Sci., 2016, 9, 2578
1543239 CIFC35 H31 F6 Ir N4 O3 PP -19.7156; 12.4425; 14.4092
99.2448; 98.284; 98.193
1676.66Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław
Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands
The Journal of Physical Chemistry C, 2016, 120, 7284
1543240 CIFC36 H24 F10 Ir N4 O4 PP 1 21/n 19.5479; 30.4524; 12.3038
90; 95.045; 90
3563.6Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław
Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands
The Journal of Physical Chemistry C, 2016, 120, 7284
1543241 CIFC32 H18 F12 Ir N4 PP 1 21/c 19.9615; 24.4176; 14.2131
90; 97.634; 90
3426.5Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław
Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands
The Journal of Physical Chemistry C, 2016, 120, 7284
1543242 CIFC35 H24 Cl2 F6 Ir N6 PP 1 21/n 112.246; 13.3943; 22.4079
90; 105.858; 90
3535.6Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław
Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands
The Journal of Physical Chemistry C, 2016, 120, 7284
1543243 CIFC10 H13 N O2P 1 21/c 19.3613; 9.3135; 11.8981
90; 102.497; 90
1012.8Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves
Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds
Crystals, 2016, 6, 37
1543244 CIFC10 H12 Br N O2P 1 21/c 110.4435; 9.209; 12.2744
90; 102.599; 90
1152.1Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves
Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds
Crystals, 2016, 6, 37
1543245 CIFC14 H15 Cl2 N SiP 1 21/c 116.6233; 7.5451; 12.2941
90; 110.965; 90
1439.9Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
Inorganics, 2016, 4, 8
1543246 CIFC32 H30 N4 O2.5 SiP 1 21/c 114.3173; 18.2897; 21.3671
90; 101.839; 90
5476.1Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
Inorganics, 2016, 4, 8
1543247 CIFC34 H35 N5 O SiC 1 c 114.5651; 22.872; 10.4529
90; 124.37; 90
2874.2Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
Inorganics, 2016, 4, 8
1543248 CIFC32 H30 N4 O SiP -19.7135; 14.9827; 18.4932
82.491; 83.162; 88.353
2649.1Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
Inorganics, 2016, 4, 8
1543249 CIFCd3.7 Ge42.3 Rb8P m -3 n10.9099; 10.9099; 10.9099
90; 90; 90
1298.56Schäfer, Marion; Bobev, Svilen
Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42
Materials, 2016, 9, 236
1543250 CIFCd3.8 Ge42.2 K8P m -3 n10.871; 10.871; 10.871
90; 90; 90
1284.72Schäfer, Marion; Bobev, Svilen
Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42
Materials, 2016, 9, 236
1543251 CIFCd3.6 Cs7.8 Ge42.4P m -3 n10.9643; 10.9643; 10.9643
90; 90; 90
1318.08Schäfer, Marion; Bobev, Svilen
Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42
Materials, 2016, 9, 236
1543252 CIFCd4 Cs8 Ge42P m -3 n10.9643; 10.9643; 10.9643
90; 90; 90
1318.08Schäfer, Marion; Bobev, Svilen
Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42
Materials, 2016, 9, 236
1543253 CIF
HKL
Paper
C11 H13 N3 O4P 1 21 18.9612; 5.0796; 12.5535
90; 102.438; 90
558.02Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.
Benzimidazolium <small>L</small>-aspartate
IUCrData, 2016, 1, x160677

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