Crystallography Open Database

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7156748 CIFC35 H29 Br N2 O5P 21 21 219.3581; 25.0827; 6.72
90; 90; 90		3262.92Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai
Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.
Organic & biomolecular chemistry, 2019, 17, 3945-3950
7157013 CIFC23 H20 Br N O2P 21 21 213.351; 25.715; 5.749
90; 90; 90		1973.8Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra
Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.
Organic & biomolecular chemistry, 2019, 17, 7849-7853
7157419 CIFC17 H16 O4 SP 21 21 27.969; 34.663; 5.361
90; 90; 90		1480.9Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra
Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.
Organic & biomolecular chemistry, 2020, 18, 2828-2833
7157732 CIFC16 H20 O5P 21 21 216.8403; 10.54278; 7.78736
90; 90; 90		1382.6Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng
Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.
Organic & biomolecular chemistry, 2020, 18, 8424-8432
7158278 CIFC19 H19 N O2P 21 21 225.3513; 13.438; 9.4134
90; 90; 90		3206.9Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe
Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.
Organic & biomolecular chemistry, 2021, 19, 8025-8029
7158346 CIFC20 H13 N3P 21 21 219.2668; 10.713; 7.8156
90; 90; 90		1613.18Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang
[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.
Organic & biomolecular chemistry, 2021, 19, 9867-9871
7158529 CIFC24 H36 O6P 21 21 220.4236; 11.2645; 10.8753
90; 90; 90		2501.99Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas
Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.
Organic & biomolecular chemistry, 2022, 20, 3511-3527
7159056 CIFC168 H164 N12 O24P 21 21 215.094; 18.129; 14.04
90; 90; 90		3841.9Das, Arnab; Ghosh, Atanu; Sinha, Surajit
C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.
Organic & biomolecular chemistry, 2023, 21, 1242-1253
7159201 CIFC13 H25 N O3P 21 21 211.178; 21.505; 6.138
90; 90; 90		1475.5Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.
Stereoselective synthesis of backbone extended π-conjugated amino esters.
Organic & biomolecular chemistry, 2023, 21, 2586-2595
7159622 CIFC23 H29 F2 N O4P 21 21 212.2544; 24.9923; 7.2291
90; 90; 90		2214.02Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.
C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.
Organic & biomolecular chemistry, 2023, 21, 9091-9100
7160000 CIFC12 H20 OP 21 21 236.7093; 26.4549; 6.8153
90; 90; 90		6618.6Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.
Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.
Organic & biomolecular chemistry, 2024, 22, 5748-5758
7160222 CIFC25 H22 N2 OP 21 21 219.9908; 15.7652; 5.8187
90; 90; 90		1833.82Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh
Enantioselective synthesis of -(3-pyrrolyl)methanamines with aza-tetrasubstituted center under metal-free conditions
Organic & Biomolecular Chemistry, 2024
7200182 CIFC4 H16 Mn2 N18 O7P 21 21 223.9993; 10.2755; 7.4265
90; 90; 90		1831.4Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen
Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)
CrystEngComm, 2009, 11, 329
7200402 CIFC18.12 H29 F6 O6.08P 21 21 228.6832; 5.0572; 7.9245
90; 90; 90		1149.5Katagiri, Toshimasa; Takahashi, Satoshi; Tanaka, Yasuhiro; Kawabata, Kouji; Hattori, Yoshiyuki; Kaneko, Katsumi; Uneyama, Kenji
Gas storage in soft 1D nano-tunnels by the induced fit of a serration structure
CrystEngComm, 2009, 11, 347
7200503 CIFC16 H37 N7 O10P 21 21 211.016; 25.86; 4.517
90; 90; 90		1286.8Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin
Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host
CrystEngComm, 2009, 11, 542
7200512 CIFC10 H20 Cu N2 O9P 21 21 211.2411; 16.5043; 8.4442
90; 90; 90		1566.62Wu, Shu-Pao; Lee, Chih-Hao
Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes
CrystEngComm, 2009, 11, 219
7200731 CIFC24 H42 Cu3 N2 O23P 21 21 222.6828; 7.4054; 10.1719
90; 90; 90		1708.6Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands
CrystEngComm, 2009, 11, 1089
7200762 CIFC40 H72 Cl4 N8 O8P 21 21 215.521; 26.412; 6.9655
90; 90; 90		2855.4Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.
Crystal structures of the HCl salts of pseudopeptidic macrocycles display "knobs into holes" hydrophobic interactions between aliphatic side chains
CrystEngComm, 2009, 11, 735-738
7201962 CIFC9 H12 Co N2 O5.5P 21 21 222.113; 6.9149; 7.7209
90; 90; 90		1180.6Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng
Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties
CrystEngComm, 2008, 10, 963
7201963 CIFC9 H9 Co N2 O4P 21 21 221.956; 6.8823; 7.741
90; 90; 90		1169.7Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng
Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties
CrystEngComm, 2008, 10, 963
7202415 CIFC33 H21 F8 I4 N5 O6P 21 21 230.345; 4.1878; 16.6946
90; 90; 90		2121.5Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202427 CIFC28 H23 Br2 N4 O2P 21 21 214.612; 9.577; 4.5572
90; 90; 90		637.7Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202428 CIFC13 H10 Br2 N2 OP 21 21 29.546; 14.7549; 4.5585
90; 90; 90		642.07Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202429 CIFC14 H13 Cl N2 OP 21 21 29.5777; 14.3646; 4.5596
90; 90; 90		627.31Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202430 CIFC13 H10 Cl2 N2 OP 21 21 29.588; 14.3214; 4.5653
90; 90; 90		626.88Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202431 CIFC13 H10 I2 N2 OP 21 21 29.6345; 15.3998; 4.5673
90; 90; 90		677.65Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202432 CIFC15 H16 N2 OP 21 21 29.595; 14.521; 4.5902
90; 90; 90		639.5Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202433 CIFC14 H13 Br N2 OP 21 21 29.577; 14.612; 4.5572
90; 90; 90		637.7Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202947 CIFC42 H32 Ag2 B2 F8 N4 O3P 21 21 213.729; 17.3654; 8.5825
90; 90; 90		2046.15Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar
Effect of the size of discrete anions on the nuclearity of a complex cation
CrystEngComm, 2007, 9, 828
7203113 CIFC6 H7.5 Ag Cl N4.5 O4P 21 21 29.974; 11.6687; 9.27
90; 90; 90		1078.9Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang
Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions
CrystEngComm, 2006, 84-93
7203129 CIFC12 H16 F6 O6P 21 21 219.7519; 5.0738; 7.8915
90; 90; 90		790.86Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji
Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components
CrystEngComm, 2006, 8, 132
7203131 CIFC14 H20 F6 O6P 21 21 222.9706; 5.146; 8.0376
90; 90; 90		950.1Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji
Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components
CrystEngComm, 2006, 8, 132
7203133 CIFC18.12 H29 F6 O6.08P 21 21 228.6832; 5.0572; 7.9245
90; 90; 90		1149.5Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji
Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components
CrystEngComm, 2006, 8, 132
7203135 CIFC52 H36 Cl4 N4 O S2P 21 21 29.9509; 25.1959; 9.0316
90; 90; 90		2264.42Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.
Synthesis and characterization of new fluorescent two-photon absorption chromophores
Journal of Materials Chemistry, 2006, 16, 850
7203171 CIFC18 H18 N2 O6 ZnP 21 21 211.325; 16.241; 9.881
90; 90; 90		1817.4Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan
Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline
CrystEngComm, 2006, 8, 167
7203207 CIFC16 H40 N8 O8 Pt S8P 21 21 216.3461; 10.1444; 11.143
90; 90; 90		1847.7Gale, Philip A.; Light, Mark E.; Quesada, Roberto
Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state
CrystEngComm, 2006, 8, 178
7203263 CIFC12 H18 F4 O6P 21 21 218.8223; 5.1467; 7.7739
90; 90; 90		753.08Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji
Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates
CrystEngComm, 2006, 8, 320
7203265 CIFC14 H20 Cl6 O6P 21 21 221.7785; 5.7582; 8.4827
90; 90; 90		1063.77Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji
Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates
CrystEngComm, 2006, 8, 320
7203624 CIFC18 H44 Ag3 B3 F12 N6 OP 21 21 216.793; 8.058; 11.766
90; 90; 90		1592.2Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli
Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions
CrystEngComm, 2006, 8, 916
7203896 CIFC18 H28 N2P 21 21 210.7545; 11.0123; 6.8433
90; 90; 90		810.46von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank
A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 175
7203905 CIFC24 H36 N2P 21 21 212.177; 9.875; 8.532
90; 90; 90		1026von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank
A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes
Journal of the Chemical Society, Perkin Transactions 2, 2000, 175
7203968 CIFC18 H14 Cl O4 S12P 21 21 211.074; 24.139; 4.876
90; 90; 90		1303.4John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.
New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies
Journal of Materials Chemistry, 2000, 10, 1273
7204309 CIFC65 H70.5 N6.5 ZnP 21 21 215.0697; 19.5369; 20.9405
90; 90; 90		6165.2Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.
Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links
Journal of the Chemical Society, Perkin Transactions 1, 2002, 320
7204456 CIFC14.5 H18.5 Cl1.5 I2 O4 SnP 21 21 223.904; 10.824; 7.954
90; 90; 90		2058Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.
Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose
Journal of the Chemical Society, Perkin Transactions 1, 2002, 2288
7204457 CIFC14.5 H18.5 Cl1.5 I2 O4 SnP 21 21 224.2808; 10.8472; 8.0682
90; 90; 90		2125Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.
Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose
Journal of the Chemical Society, Perkin Transactions 1, 2002, 2288
7204990 CIFC23 H24 N2 O4P 21 21 225.491; 7.795; 9.982
90; 90; 90		1983.44-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes
Journal of the Chemical Society, Perkin Transactions 1, 2002, 69
7205804 CIFC15 H15 N2 O4 PP 21 21 216.115; 18.888; 4.9329
90; 90; 90		1501.5Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm, 2011, 13, 4110
7206068 CIFCe H13 N3 O11 P3P 21 21 27.304; 9.1675; 9.5663
90; 90; 90		640.6Yi, Jianglong; Fu, Zhiyong; Liao, Shijun; Song, Desheng; Dai, Jingcao
Nitrogen-containing porous cerium trimetaphosphimate as a new efficient base catalyst
Journal of Materials Chemistry, 2011, 21, 6144
7206240 CIFC13 H12 I2 N OP 21 21 29.1134; 11.0264; 14.6077
90; 90; 90		1467.9Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi
Structural transformation of pyridinium iodide proceeding in the solid state
CrystEngComm, 2011, 13, 4635
7206638 CIFC6 H14 N2P 21 21 28.521; 5.2696; 7.724
90; 90; 90		346.83Cai, Weizhao; Katrusiak, Andrzej
Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure
CrystEngComm, 2011, 13, 6742

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