Crystallography Open Database

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7151195 CIFC30 H30 N2 O4P -18.401; 10.368; 15.647
95.41; 95.198; 102.676
1315Anas, S.; John, Jubi; Sajisha, V. S.; John, Joshni; Rajan, Rani; Suresh, E.; Radhakrishnan, K. V.
Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes.
Organic & biomolecular chemistry, 2007, 5, 4010-4019
7151196 CIFC18 H26 Cl6 D6 N6C 1 2/c 118.3557; 10.5375; 13.167
90; 103.55; 90
2475.91Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & biomolecular chemistry, 2007, 5, 3909-3911
7151197 CIFC64 H68 B2 N6P 1 21/c 111.1882; 14.384; 16.3407
90; 104.766; 90
2542.88Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & biomolecular chemistry, 2007, 5, 3909-3911
7151198 CIFC77 H80 B2 N6C 1 c 118.824; 13.0677; 26.2401
90; 105.854; 90
6209.2Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & biomolecular chemistry, 2007, 5, 3909-3911
7151199 CIFC15 H26 N6P 31 2 18.689; 8.689; 17.1794
90; 90; 120
1123.25Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & biomolecular chemistry, 2007, 5, 3909-3911
7203851 CIFC20 H30 Au2 S6 W2P 1 21/a 117.123; 9.373; 18.019
90; 107.43; 90
2759.2Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong
Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2
Physical Chemistry Chemical Physics, 2003, 5, 5127
7204509 CIFC9 H17 N7 O4 SP 1 21/c 17.202; 11.18; 18.192
90; 100.48; 90
1440.4Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.
The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/
CrystEngComm, 2003, 5, 77
7204510 CIFC10 H18 N6 O8 SC 1 2/c 19.4365; 23.7247; 7.0598
90; 93.656; 90
1577.32Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.
The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/
CrystEngComm, 2003, 5, 77
7204546 CIFC22 H36 Cl2 Cu N8 O4P 1 21/c 18.5807; 14.25; 12.114
90; 109.853; 90
1393.2Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204547 CIFC10 H24 Br2 Cu N8 O2P -19.036; 12.689; 16.37
94.62; 97.051; 91.02
1856Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204548 CIFC12 H30 Cl2 Cu N8 O3P 1 21/c 110.859; 24.988; 7.662
90; 96.259; 90
2066.7Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204549 CIFC13 H32 Br2 Cu N8 O3P -17.6304; 12.062; 12.964
71.233; 78.914; 80.827
1102.5Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204550 CIFC10 H28 Br2 Cu N8 O4P 1 21/c 15.223; 16.539; 11.802
90; 102.806; 90
994.1Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204551 CIFC8 H20 Cl2 Cu N8 O2P 1 21/c 15.2682; 13.403; 11.065
90; 94.56; 90
778.8Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204552 CIFC16 H13 N O4P 1 21 16.983; 16.174; 12.36
90; 99.31; 90
1377.6Smith, Graham; Wermuth, Urs D.; White, Jonathan M.
Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound
CrystEngComm, 2003, 5, 58
7204555 CIFC32 H40 N2 O3P c a 2117.17; 14.26; 24.02
90; 90; 90
5881Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.
Monohelical self-assembly of 5-alkoxyisophthalamides
CrystEngComm, 2003, 5, 38
7204559 CIFC12 H28 Cu N10 O8P 1 21/n 15.383; 15.581; 12.685
90; 101.746; 90
1041.6Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204560 CIFC12 H28 B2 Cu F8 N8 O2P 1 21 15.2725; 15.204; 13.9432
90; 99.532; 90
1102.3Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204561 CIFC22.5 H35 Cu N10 O9P -111.1621; 16.1935; 17.328
83.861; 74.106; 81.143
2969.5Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204562 CIFC10 H24 Cu N10 O8P 1 21/n 15.03; 15.4696; 12.3914
90; 95.916; 90
959.07Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204563 CIFC10 H24 B2 Cu F8 N8 O2P 1 21/n 15.118; 14.676; 13.913
90; 99.989; 90
1029.2Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204564 CIFC5 H11 Co N O6P 21 21 217.149; 10.468; 11.295
90; 90; 90
845.3Zhang, Yugen; Saha, Manas K.; Bernal, Ivan
[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels
CrystEngComm, 2003, 5, 34
7204565 CIFC54 H36 Cl2 N16P -18.135; 12.011; 12.048
79.86; 89.486; 78.146
1133.7Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi
Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl–) as an electron donor in a TCNQ complex
CrystEngComm, 2003, 5, 54
7204566 CIFC16 H36 Ag3 N S8 W2P 21 21 2111.689; 14.482; 18.587
90; 90; 90
3146.4Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan
Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n
CrystEngComm, 2003, 5, 62
7204570 CIFC27 H18 Cl N3 O2C m c 2145.207; 6.465; 7.416
90; 90; 90
2167.4Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás
Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal
CrystEngComm, 2003, 5, 42
7204571 CIFC21 H23 Cl N4 O5P 1 21/n 16.545; 28.28; 11.633
90; 103.37; 90
2095Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.
Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate
CrystEngComm, 2003, 5, 48
7204572 CIFC21 H25.4 Cl N4 O6.2P -17.271; 9.144; 16.674
86.93; 80.92; 85.43
1090.3Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.
Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate
CrystEngComm, 2003, 5, 48
7204573 CIFC70 H56 O5P -112.9719; 15.119; 16.799
100.572; 104.897; 113.581
2761.4Guo, Fang; Guo, Wen Sheng; Toda, Fumio
Supramolecular stereoisomer – the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds
CrystEngComm, 2003, 5, 45
7204574 CIFC25 H37.5 N O2P 1 21/c 113.22; 10.568; 15.517
90; 105.954; 90
2084.4Guo, Fang; Guo, Wen Sheng; Toda, Fumio
Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds
CrystEngComm, 2003, 5, 45
7204575 CIFC4 H6 N2 O4P -15.5028; 7.0583; 8.2718
70.112; 85.814; 74.095
290.48Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.
A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/
CrystEngComm, 2003, 5, 3
7204576 CIFC14 H10 Cl N O2P 1 21/c 13.8364; 12.916; 12.221
90; 93.91; 90
604.2Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.
Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0
CrystEngComm, 2003, 5, 67
7204577 CIFC14 H10 N2 O4P 1 21/c 13.818; 13.0067; 12.478
90; 94.371; 90
617.85Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.
Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 – x(4-chloro-4'-nitrostilbene)x, 1 > x > 0
CrystEngComm, 2003, 5, 67
7204584 CIFC16 H14 N4P b c a8.5187; 9.8623; 14.8684
90; 90; 90
1249.2Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn
Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/
Green Chemistry, 2003, 5, 187
7204585 CIFC20 H14 N4P 1 21/c 17.5866; 10.366; 9.7278
90; 107.895; 90
728Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn
Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/
Green Chemistry, 2003, 5, 187
7204586 CIFC20 H14 N4P b c n17.712; 8.7976; 9.7375
90; 90; 90
1517.3Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn
Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/
Green Chemistry, 2003, 5, 187
7204591 CIFC43 H40 N O P3 PtR -3 :H25.6343; 25.6343; 31.3646
90; 90; 120
17849Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.
An organoplatinum molecular hexagon that crystallizes in a hexagonal array
CrystEngComm, 2003, 5, 65
7204594 CIFC21 H26 N4 O6 SP 1 21/n 113.407; 10.039; 17.115
90; 90.6; 90
2303.4Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204595 CIFC20 H27 N5 O7 SP 1 21/c 117.855; 6.136; 21.349
90; 109.08; 90
2210Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204596 CIFC20 H26 N4 O7 SP 1 21/c 117.507; 6.323; 21.35
90; 107.8; 90
2250.2Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204597 CIFC21 H28 N4 O11 SP 1 21/c 111.442; 18.769; 12.783
90; 114.18; 90
2504.4Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204602 CIFC14 H24 F12 N4 O2 P2P 1 21/c 111.761; 16.685; 11.864
90; 90.504; 90
2328Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.
Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13–16th October 2002.
Green Chemistry, 2003, 5, 129
7204603 CIFC18 H32 F12 N4 P2P 1 21/c 16.4611; 16.5436; 12.1828
90; 99.445; 90
1284.56Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.
Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13–16th October 2002.
Green Chemistry, 2003, 5, 129
7204604 CIFC30 H44 Hg N4 O11 S2P -110.086; 12.459; 15.204
83.209; 84.16; 67.666
1751.5Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.
Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.
Green Chemistry, 2003, 5, 129
7204607 CIFC23 H30 O5P -16.2565; 10.8094; 17.2183
106.78; 93.498; 102.78
1077.49Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio
Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds
CrystEngComm, 2003, 5, 114-116
7204608 CIFC36 H38 O6P 1 21 19.8539; 9.2288; 33.0868
90; 92.658; 90
3005.67Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio
Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds
CrystEngComm, 2003, 5, 114-116
7204610 CIFC14 H11 Co F2 O6P n m a12.588; 11.726; 8.987
90; 90; 90
1326.5Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204611 CIFC14 H12 Co F O6P 1 21/n 17.833; 11.696; 14.435
90; 100.13; 90
1301.8Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204612 CIFC14 H12 Cl Co O6P 1 21/n 17.452; 12.949; 14.886
90; 102.36; 90
1403.1Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204616 CIFC12 H8 N6P 1 21/c 15.0842; 5.4202; 18.831
90; 94.126; 90
517.59Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
The role of 1,2,4,5-tetrazine rings in π–π stacking interactions
CrystEngComm, 2003, 5, 82
7204617 CIFC12 H8 N6P 1 21/c 15.0029; 5.4035; 18.788
90; 92.776; 90
507.3Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
The role of 1,2,4,5-tetrazine rings in π–π stacking interactions
CrystEngComm, 2003, 5, 82

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