Crystallography Open Database
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Searching journal of publication like 'CrystEngComm' volume of publication is 20
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1549180 | CIF | C28 H24 N8 O6 Pb2 | P 1 21/c 1 | 7.4785; 21.4405; 9.022 90; 94.218; 90 | 1442.69 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549181 | CIF | C16 H12 N6 O3 Pb2 S2 | P -1 | 8.5997; 10.9376; 11.7938 72.684; 80.451; 82.758 | 1040.9 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549182 | CIF | C12 H10 I2 N4 O Pb | P -1 | 6.6742; 7.8985; 16.794 82.614; 81.44; 65.269 | 792.99 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549183 | CIF | C28 H26 N10 O3 Pb S2 | P 1 21/c 1 | 15.4161; 13.7171; 14.9481 90; 94.944; 90 | 3149.23 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549188 | CIF | C62 H4 Br2 Cl2 | P 6/m m m | 10.056; 10.056; 10.07 90; 90; 120 | 881.9 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
1549189 | CIF | C62 H4 Br2 Cl2 | C 1 2/m 1 | 9.9153; 17.412; 10.0478 90; 101.966; 90 | 1697 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
1549717 | CIF | C39.5 H48.9 N6.5 O16.2 Zn2 | C 1 2/c 1 | 25.386; 25.15; 17.6282 90; 114.178; 90 | 10268 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
1549718 | CIF | C42.15 H54.35 Cd2 N6.05 O16.05 | C 1 2/c 1 | 26.4534; 24.3372; 17.6488 90; 109.622; 90 | 10702.5 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
7229477 | CIF | C28 H22 N2 O6 S2 | P -1 | 8.13783; 11.6634; 13.498 93.4739; 96.731; 103.882 | 1229.92 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229478 | CIF | C31 H27 N3 O6 S2 | P -1 | 8.62524; 12.5088; 13.0025 87.7507; 79.534; 85.0219 | 1373.92 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229479 | CIF | C72 H84 N4 O10 S4 | P -1 | 11.4757; 12.2489; 12.7795 85.3743; 76.109; 70.8493 | 1647.3 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229480 | CIF | C68 H74 N4 O10 S4 | P -1 | 10.9957; 12.0694; 12.8047 85.373; 73.757; 75.131 | 1576.8 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229481 | CIF | C68 H76 N4 O12 S4 | P -1 | 10.9459; 12.1089; 12.9588 84.1094; 72.953; 74.0952 | 1578.8 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229482 | CIF | C72 H84 N4 O10 S4 | P -1 | 11.0418; 12.4363; 12.5998 88.953; 77.1337; 77.137 | 1643.53 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229483 | CIF | C34 H34 N2 O6 S2 | P 1 21/c 1 | 11.6922; 20.8466; 13.0536 90; 101.529; 90 | 3117.53 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229484 | CIF | C30 H25 N3 O6 S2 | P -1 | 8.70878; 12.5376; 12.6766 86.7619; 79.087; 86.3097 | 1354.89 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229485 | CIF | C78 H96 N4 O10 S4 | P 1 21/n 1 | 14.0762; 11.0705; 23.2945 90; 92.1146; 90 | 3627.52 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229486 | CIF | C68 H70 N6 O10 S4 | P -1 | 10.9203; 11.9997; 12.8965 84.6483; 73.4045; 75.8535 | 1569.95 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229487 | CIF | C70 H82 N4 O10 S4 | P -1 | 11.2092; 12.181; 12.8326 85.505; 74.8198; 73.1335 | 1618.27 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229488 | CIF | C66 H70 F2 N4 O10 S4 | P -1 | 10.9315; 12.0707; 12.7651 84.8346; 72.9469; 75.4678 | 1558.54 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229489 | CIF | C77 H93 Cl3 N4 O10 S4 | P -1 | 14.1225; 17.0279; 17.493 81.2059; 69.2791; 72.4461 | 3746.3 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229504 | CIF | C36 H50 Co2 N4 O12 | P 1 21/c 1 | 10.875; 13.212; 13.585 90; 101.227; 90 | 1914.5 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229505 | CIF | C35 H46 Cd2 N4 O11 | P 1 21 1 | 11.1974; 14.7981; 12.0119 90; 112.731; 90 | 1835.8 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229506 | CIF | C35 H46 Co2 N4 O11 | P 1 21 1 | 10.3191; 13.4103; 13.1239 90; 93.368; 90 | 1813 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229507 | CIF | C37 H52 Co2 N4 O12 | P 1 21/c 1 | 11.653; 13.074; 13.802 90; 105.036; 90 | 2030.8 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229508 | CIF | C52 H73 Cd2 N8 O17 | P 1 21 1 | 13.2458; 10.4071; 19.9682 90; 91.592; 90 | 2751.6 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229534 | CIF | C29 H28 N3 O5 S | P -1 | 7.5875; 11.9287; 15.8232 82.931; 78.678; 75.529 | 1355.58 | Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin CrystEngComm, 2018, 20, 150 |
7229561 | CIF | C22 H28 Cr Mo6 N6 O27 | P -1 | 6.021; 12.32; 13.294 77.871; 77.259; 79.486 | 930.75 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229562 | CIF | C28 H76 Co3 Cr2 Mo12 N6 O73 | P -1 | 12.3636; 13.0466; 14.4949 106.06; 97.818; 111.813 | 2009.83 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229563 | CIF | C25 H53 Co3 Cr Mo6 N6 O46 | C 1 2/c 1 | 25.9299; 9.8335; 24.7101 90; 117.076; 90 | 5610.1 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229564 | CIF | C32 H53 Cr Cu3 Mo6 N8 O41 | P -1 | 9.624; 13.716; 14.061 61.168; 70.68; 88.297 | 1515.4 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229565 | CIF | C24 H52 Cl Cr Cu3 Mo6 N6 O45 | C 1 2/c 1 | 26.323; 9.8415; 25.627 90; 117.922; 90 | 5866 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229607 | CIF | C24 H40 Fe P2 | C 1 2/c 1 | 16.744; 8.987; 31.956 90; 101.227; 90 | 4716.7 | Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P. Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions CrystEngComm, 2018, 20, 189 |
7229608 | CIF | C18 H11 N3 O9.5 Tb | P 1 21/c 1 | 14.3675; 8.2658; 18.64 90; 123.87; 90 | 1838 | Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P. Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions CrystEngComm, 2018, 20, 189 |
7229609 | CIF | C12 H10 F N3 O | P 1 21 1 | 9.6487; 5.2866; 11.1382 90; 110.361; 90 | 532.65 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229610 | CIF | C12 H11 N3 O | P 1 21/n 1 | 5.4917; 16.1489; 12.4976 90; 100.382; 90 | 1090.2 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229611 | CIF | C12 H10 Cl N3 O | P 1 21/c 1 | 6.168; 9.574; 19.477 90; 96.539; 90 | 1142.7 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229612 | CIF | C12 H10 Br N3 O | P 1 21/c 1 | 6.2398; 9.7185; 19.5527 90; 96.462; 90 | 1178.17 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229613 | CIF | C12 H10 I N3 O | P 21 21 21 | 4.7465; 9.9491; 26.6177 90; 90; 90 | 1256.98 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229622 | CIF | Au3.56 Ba Ga8.44 | I 4/m c m | 8.771; 8.771; 26.13 90; 90; 90 | 2010 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229623 | CIF | Au11.41 Gd2 Sb3.59 | I 4/m m m | 7.33; 7.33; 14.105 90; 90; 90 | 757.8 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229624 | CIF | Au11.98 Gd2 Sb3.02 | I 4/m m m | 7.307; 7.307; 14.0497 90; 90; 90 | 750.1 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229625 | CIF | Au4.38 Ba Ga7.62 | I 4/m c m | 8.774; 8.774; 26.064 90; 90; 90 | 2006.5 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229628 | CIF | C13 H5 N3 S2 | P n a 21 | 7.8613; 24.495; 6.1207 90; 90; 90 | 1178.6 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229629 | CIF | C15 H7 N3 S2 | P 1 21/c 1 | 5.56; 14.516; 16.611 90; 93.872; 90 | 1338 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229630 | CIF | C31 H39 N3 S2 | P -1 | 9.1187; 10.6243; 16.361 73.912; 82.666; 70.835 | 1437.4 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229635 | CIF | C18 H28 N4 O4 | P 42/n :2 | 25.4312; 25.4312; 6.06772 90; 90; 90 | 3924.27 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229636 | CIF | C12 H22 N4 O2 | C 1 2/c 1 | 29.624; 6.0611; 8.6488 90; 101.974; 90 | 1519.14 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229637 | CIF | C12 H22 N4 O2 | F d d 2 | 16.185; 29.012; 6.093 90; 90; 90 | 2861 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229638 | CIF | C12 H22 N4 O2 | P 1 21/c 1 | 6.0552; 14.4565; 15.8765 90; 97.773; 90 | 1377.01 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
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