Crystallography Open Database

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7152363 CIFC57 H66 O6A 1 2/a 127.9648; 9.851; 34.664
90; 101.179; 90
9368.1Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko
Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.
Organic & biomolecular chemistry, 2012, 10, 4618-4626
7150869 CIFC11 H17 B O2A b a 231.624; 15.1613; 9.1559
90; 90; 90
4389.9Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.
Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids
Organic & Biomolecular Chemistry, 2008, 6, 1201-1207
7152575 CIFC21 H28 Cl NA b a 225.438; 10.671; 7.125
90; 90; 90
1934.07Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine
Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.
Organic & biomolecular chemistry, 2012, 10, 7148-7157
7152659 CIFC13 H6 F3 N3 SA b a 217.79; 20.166; 6.7371
90; 90; 90
2417Zhang, Xinhai; Jia, Jiong; Ma, Chen
A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.
Organic & biomolecular chemistry, 2012, 10, 7944-7948
7153800 CIFC28 H28 N3 O2A b a 213.772; 27.468; 13.3251
90; 90; 90
5040.7Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming
DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.
Organic & biomolecular chemistry, 2014, 12, 4628-4632
7154181 CIFC21 H19 N O4A b a 253.5172; 17.0124; 7.5768
90; 90; 90
6898.3Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter
Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.
Organic & biomolecular chemistry, 2015, 13, 729-750
7158112 CIFC10 H16 F5 N O4 SA e a 213.4208; 26.557; 8.6349
90; 90; 90
3077.6Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter
Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.
Organic & biomolecular chemistry, 2021, 19, 5607-5623
7158793 CIFC45 H38 Cl2 F2 N6 O6A e a 222.524; 24.034; 7.426
90; 90; 90
4020Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal
Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.
Organic & biomolecular chemistry, 2022
7150483 CIFC30 H24 N4 O5A m a 235.743; 9.285; 7.338
90; 90; 90
2435.3Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz
Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5
Organic & Biomolecular Chemistry, 2003, 1, 1425
7157218 CIFC57 H109 N11 O8 SC 159.086; 9.0002; 18.4644
90.05; 105.8; 89.986
9448.1Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin
Chelate effects in sulfate binding by amide/urea-based ligands.
Organic & biomolecular chemistry, 2015, 13, 6953-6957
1544172 CIFC19 H26 O2C 1 2 128.082; 9.2623; 12.2258
90; 99.923; 90
3132.4Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.
Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.
Organic & biomolecular chemistry, 2016, 14, 9790-9805
7150049 CIFC16 H10 N4C 1 2 122.523; 3.912; 6.979
90; 106.14; 90
590.7Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150102 CIFC76 H123 N9 O20C 1 2 147.011; 13.325; 14.106
90; 95.26; 90
8799.1Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh
Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.
Organic & biomolecular chemistry, 2005, 3, 661-665
7150157 CIFC25 H30 N2 O2C 1 2 124.525; 8.188; 26.609
90; 116.853; 90
4767.2Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang
Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.
Organic & biomolecular chemistry, 2005, 3, 2848-2858
7150209 CIFC26 H38 Fe N4 O6C 1 2 115.479; 9.342; 11.04
90; 117.071; 90
1421.54Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard
Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.
Organic & biomolecular chemistry, 2005, 3, 3018-3023
7150210 CIFC26 H38 Fe N4 O6C 1 2 115.49; 9.339; 11.036
90; 117.09; 90
1421.3Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard
Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.
Organic & biomolecular chemistry, 2005, 3, 3018-3023
7150273 CIFC30 H54 N4 O10 S2C 1 2 125.41; 5.071; 15.318
90; 106.77; 90
1890Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam
The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.
Organic & biomolecular chemistry, 2005, 3, 3502-3507
7150343 CIFC6 H12 F N O2C 1 2 19.6878; 5.3021; 15.229
90; 107.292; 90
746.9Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.
Organic & biomolecular chemistry, 2004, 2, 474-482
7150353 CIFC22 H41 N5 O4 Si2C 1 2 131.591; 10.875; 17.005
90; 101.092; 90
5732.97Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji
Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.
Organic & biomolecular chemistry, 2004, 2, 1125-1132
7150354 CIFC24 H45 N5 O7 Si2C 1 2 117.326; 11.369; 17.395
90; 116.838; 90
3057.38Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji
Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.
Organic & biomolecular chemistry, 2004, 2, 1125-1132
7150405 CIFC9 H18 N3 O4.5C 1 2 118.4408; 5.2153; 24.8543
90; 98.765; 90
2362.4Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.
Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.
Organic & biomolecular chemistry, 2006, 4, 475-481
7150417 CIFC16 H24 N2 O3C 1 2 120.536; 5.165; 16.872
90; 109.824; 90
1683.5Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150435 CIFC39 H68 N O13.5C 1 2 128.764; 12.3834; 11.8736
90; 104.728; 90
4090.4Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill
Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.
Organic & biomolecular chemistry, 2006, 4, 1014-1019
7150533 CIFC32 H52 O3C 1 2 113.352; 6.54; 32.4439
90; 99.008; 90
2798.13Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.
Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes
Organic & Biomolecular Chemistry, 2009, 7, 508-517
7150534 CIFC30 H46 O2C 1 2 113.2214; 6.4962; 29.842
90; 93.615; 90
2558Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.
Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes
Organic & Biomolecular Chemistry, 2009, 7, 508-517
7150580 CIFC17 H24 Cl NC 1 2 116.115; 10.4898; 10.9685
90; 121.095; 90
1587.7Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150635 CIFC26 H24 N O5.5 SC 1 2 128.5943; 9.1264; 9.5011
90; 90.748; 90
2479.22Lorpitthaya, Rujee; Sophy, K. B.; Kuo, Jer-Lai; Liu, Xue-Wei
Highly stereoselective synthesis of aminoglycosides via rhodium-catalyzed and substrate-controlled aziridination of glycals
Organic & Biomolecular Chemistry, 2009, 7, 1284-1287
7150713 CIFC17 H15 N O2C 1 2 130.294; 6.4077; 7.0525
90; 100.238; 90
1347.2Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu
Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides
Organic & Biomolecular Chemistry, 2009, 7, 3331-3337
7150871 CIFC16 H15 N OC 1 2 119.246; 5.8447; 14.509
90; 129.844; 90
1253.1Xu, Zhou; Mao, Jincheng; Zhang, Yawen
Highly enantioselective alkynylation of aldehydes catalyzed by a new oxazolidine‒titanium complex
Organic & Biomolecular Chemistry, 2008, 6, 1288-1292
7150884 CIFC16 H25 N3 O3C 1 2 120.565; 5.223; 17.23
90; 105.921; 90
1779.7Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles
Propensity for local folding induced by the urea fragment in short-chain oligomers
Organic & Biomolecular Chemistry, 2008, 6, 2596-2610
7151004 CIFC11 H13 N O2C 1 2 115.561; 6.152; 11.984
90; 122.08; 90
972.1Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.
Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates
Organic & Biomolecular Chemistry, 2008, 6, 3957-3966
7151112 CIF?C 1 2 111.8185; 11.0156; 18.8659
90; 95.528; 90
2444.69Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling
Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.
Organic & biomolecular chemistry, 2007, 5, 1695-1701
7151227 CIFC42.67 H48.67 Cl2.67 N4 O9.67 S2C 1 2 127.55; 10.928; 23.154
90; 90.42; 90
6971Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu
Synthesis and crystal structure of [2 + 2] calixsalens.
Organic & biomolecular chemistry, 2006, 4, 3044-3047
7151233 CIFC19 H27 N O4C 1 2 117.9151; 9.5994; 12.1722
90; 119.664; 90
1818.96Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.
Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.
Organic & biomolecular chemistry, 2006, 4, 2753-2768
7151238 CIFC20 H30 I2 N2 O2C 1 2 126.338; 9.477; 32.834
90; 97.759; 90
8121Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin
Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.
Organic & biomolecular chemistry, 2006, 4, 3358-3366
7151311 CIFC25 H23 N OC 1 2 118.188; 7.049; 17.257
90; 121.24; 90
1891.7Adams, Harry; Bawa, Ramadan A.; Jones, Simon
N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives
Organic & Biomolecular Chemistry, 2006, 4, 4206
7151373 CIFC48 H46 N4 O2C 1 2 120.7692; 6.0863; 14.9639
90; 99.673; 90
1864.7Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels
Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings
Org. Biomol. Chem., 2003, 1, 1894-1899
7151564 CIFC28 H34 N2 O9 SC 1 2 122.4427; 11.0768; 12.8817
90; 114.475; 90
2914.55Lee, Ai-Lan; Ley, Steven V.
The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers
Organic & Biomolecular Chemistry, 2003, 1, 3957
7151602 CIFC40 H32 N2 O2C 1 2 114.8402; 10.5377; 9.7304
90; 99.443; 90
1501.04Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
Inclusion of quinolines by binaphthol: structures and selectivity.
Organic & biomolecular chemistry, 2004, 2, 655-659
7151731 CIFC8 H12 Cl3 N O4C 1 2 139.705; 5.8312; 20.2162
90; 91.296; 90
4679.4Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
Organic & biomolecular chemistry, 2011, 9, 2801-2808
7151776 CIFC16 H22 O4C 1 2 117.9518; 8.62335; 9.25071
90; 96.1609; 90
1423.78Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver
Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.
Organic & biomolecular chemistry, 2011, 9, 2543-2547
7151873 CIFC21 H24 Cl N OC 1 2 119.532; 5.3933; 16.414
90; 90.279; 90
1729.1Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
Organic & Biomolecular Chemistry, 2011, 9, 4642
7151900 CIFC22 H32 O8C 1 2 126.995; 6.0828; 14.322
90; 117.723; 90
2081.8Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
Synthesis and revision of stereochemistry of rubescensin S
Organic & Biomolecular Chemistry, 2011, 9, 4436
7151937 CIFC12 H16 O3C 1 2 124.17; 7.6936; 12.38
90; 112.922; 90
2120.3Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.
Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.
Organic & biomolecular chemistry, 2011, 9, 5062-5078
7152074 CIFC19 H23 N O5C 1 2 116.779; 10.0638; 11.0022
90; 103.905; 90
1803.4Bandyopadhyay, Anupam; Gopi, Hosahudya N.
A facile transformation of amino acids to functionalized coumarins.
Organic & biomolecular chemistry, 2011, 9, 8089-8095
7152096 CIFC16 H20 O9C 1 2 118.1428; 8.3337; 11.7816
90; 94.391; 90
1776.11Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.
Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.
Organic & biomolecular chemistry, 2011, 9, 8465-8474
7152350 CIFC27 H33 N O2 S SiC 1 2 118.687; 8.149; 18.235
90; 115.58; 90
2504.7Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.
A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.
Organic & biomolecular chemistry, 2012, 10, 4390-4399
7152417 CIFC21 H31 O6.5C 1 2 156.216; 4.9368; 15.39
90; 101.42; 90
4186.6Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng
Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.
Organic & biomolecular chemistry, 2012, 10, 5307-5314
7152424 CIFC20 H20 O6C 1 2 125.7271; 5.6497; 13.2772
90; 112.41; 90
1784.1Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.
Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.
Organic & biomolecular chemistry, 2012, 10, 5636-5642
7152458 CIFC16 H31 N O4C 1 2 122.1832; 5.8375; 14.5119
90; 105.895; 90
1807.36Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.
Organic & biomolecular chemistry, 2012, 10, 6186-6200

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