Crystallography Open Database

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7152805 CIFC16 H30 N2 O6P 21 21 211.306; 31.857; 5.353
90; 90; 90		1928Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.
Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.
Organic & biomolecular chemistry, 2013, 11, 803-813
7153296 CIFC19 H33 N O5P 21 21 216.6312; 8.9394; 12.6256
90; 90; 90		1877.1Renzi, Polyssena; Overgaard, Jacob; Bella, Marco
Multicomponent asymmetric reactions mediated by proline lithium salt.
Organic & biomolecular chemistry, 2010, 8, 980-983
7153429 CIFC22 H36 B K N1.5 O7P 21 21 220.6439; 14.6541; 8.4379
90; 90; 90		2552.61Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger
Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.
Organic & biomolecular chemistry, 2010, 8, 4849-4854
7153483 CIFC31 H42.82 N8 O12P 21 21 234.71; 42.495; 15.363
90; 90; 90		22660Howard, Judith A. K.; Yufit, Dmitry S.; Chetina, Olga V.; Teat, Simon J.; Capelli, Silvia C.; Pattison, Philip
Crystal structure of the insect neuropeptide proctolin.
Organic & biomolecular chemistry, 2010, 8, 5110-5112
7153617 CIFC19 H16 Br O4 PP 21 21 29.2741; 38.324; 5.081
90; 90; 90		1805.9Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.
Organocatalytic enantioselective hydrophosphonylation of aldehydes.
Organic & biomolecular chemistry, 2014, 12, 1258-1264
7154091 CIFC33 H34 F N3 Ni O3P 21 21 211.823; 25.123; 9.6587
90; 90; 90		2868.9Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.
Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.
Organic & biomolecular chemistry, 2014, 12, 8775-8782
7154184 CIFC14 H14 N4 O4P 21 21 218.769; 12.495; 13.68
90; 90; 90		3208.2Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian
A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.
Organic & biomolecular chemistry, 2014, 12, 9769-9772
7154323 CIFC15 H18 Br N O4 SP 21 21 210.9; 17.232; 8.4931
90; 90; 90		1595.2Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian
Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.
Organic & biomolecular chemistry, 2015, 13, 3566-3570
7154521 CIFC18 H27 N O4P 21 21 215.6931; 21.8725; 5.0383
90; 90; 90		1729.38Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm
Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.
Organic & biomolecular chemistry, 2015, 13, 5885-5893
7154690 CIFC14 H14 N2 OP 21 21 214.2584; 14.3343; 11.7845
90; 90; 90		2408.57Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.
Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.
Organic & biomolecular chemistry, 2015, 13, 10705-10715
7155062 CIFC14 H13 Cl N2 O3P 21 21 213.7554; 18.6455; 5.3891
90; 90; 90		1382.18Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.
Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.
Organic & biomolecular chemistry, 2016, 14, 4136-4145
7155338 CIFC118 H198 N33 O26.4 P3 S5P 21 21 232.0131; 15.5735; 14.771
90; 90; 90		7364.2Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan
Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.
Organic & biomolecular chemistry, 2016, 15, 102-113
7155413 CIFC61 H81 Br N7 O7P 21 21 223.5858; 19.6801; 15.1629
90; 90; 90		7038.2Kubyshkin, Vladimir; Budisa, Nediljko
Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.
Organic & biomolecular chemistry, 2017, 15, 619-627
7155781 CIFC22 H22 Cl N O4P 21 21 213.4035; 28.882; 5.1236
90; 90; 90		1983.4Singha Roy, Soumya Jyoti; Mukherjee, Santanu
“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams
Org. Biomol. Chem., 2017
7156067 CIFC16 H13 Br F N O4P 21 21 229.849; 7.002; 7.688
90; 90; 90		1606.81Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan
Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.
Organic & biomolecular chemistry, 2018, 16, 1079-1082
7156208 CIFC78 H133 N19 O19P 21 21 229.04; 33.47; 10.3
90; 90; 90		10011Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas
How are 1,2,3-triazoles accommodated in helical secondary structures?
Organic & biomolecular chemistry, 2018, 16, 3576-3583
7156416 CIFC79 H90 O8P 21 21 220.7367; 19.2582; 8.3754
90; 90; 90		3344.73Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang
Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.
Organic & biomolecular chemistry, 2018, 16, 8305-8310
7156648 CIFC36 H35 N10 O6.5P 21 21 217.0714; 27.849; 6.8249
90; 90; 90		3244.7Calatrava-Pérez, Elena; Delente, Jason M.; Shanmugaraju, Sankarasekaran; Hawes, Chris S.; Williams, Clive D.; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.
Glycosylated naphthalimides and naphthalimide Tröger's bases as fluorescent aggregation probes for Con A.
Organic & biomolecular chemistry, 2019, 17, 2116-2125
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 CIFC42 H41 N3 O6P 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 α-(3-pyrrolyl)methanamines with an aza-tetrasubstituted center under metal-free conditions.
Organic & biomolecular chemistry, 2024, 23, 98-102
7160378 CIFC26 H26 Cl4 N3 O11P 21 21 228.092; 10.0764; 11.5164
90; 90; 90		3259.9Yadav, Yogesh; Singh, Kavita; Tyagi, Rajdeep; Sagar, Ram
Organobase-catalyzed efficient synthesis of 4-acyl-5-aryl tri-substituted triazole linked <i>N</i>-glycosides as glycohybrids.
Organic & biomolecular chemistry, 2025, 23, 2904-2917
7160463 CIFC20 H26 O7P 21 21 222.6546; 14.3623; 5.623
90; 90; 90		1829.57Maurya, Kanchan; Kaliappan, Krishna P.
A versatile approach toward enantiospecific synthesis of sugar-linked oxapolyquinanes <i>via</i> IPKR.
Organic & biomolecular chemistry, 2025, 23, 4409-4420
7160751 CIFC17 H10 Cl N3 O3P 21 21 247.8889; 12.8413; 9.7509
90; 90; 90		5996.37Li, Ke-Jiao; Geng, Ying-Ying; Zhang, Fu-Jian; Li, Xin-Yue; Liu, Jing-Wen; Wu, Cheng-Gui; Feng, Cheng-Tao; Teng, Fan
Enantioselective palladium-catalyzed carbonylation toward N-N axially chiral amides.
Organic & biomolecular chemistry, 2025, 23, 9105-9109
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

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