Crystallography Open Database

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7126733 CIFC252.21 H144.14 Ag24 N6.04 O48I 1 2 134.592; 6.257; 35.505
90; 107.21; 90
7341Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo
Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.
Chemical communications (Cambridge, England), 2020, 56, 8615-8618
7127704 CIFC81 H78 As4 Cl2 O8I 1 2 122.1368; 7.4077; 21.7648
90; 90.278; 90
3569Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.
Chemical communications (Cambridge, England), 2021, 57, 2013-2016
7128314 CIFC38 H34 Cl2 Fe N2 O P2I 1 2 119.7052; 7.9644; 22.605
90; 100.994; 90
3482.52Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.
Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.
Chemical communications (Cambridge, England), 2021, 57, 5718-5721
7128410 CIFC21 H21 N O5I 1 2 121.9574; 5.9872; 14.5153
90; 92.023; 90
1907.04Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li
Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.
Chemical communications (Cambridge, England), 2021, 57, 6764-6767
7131475 CIFC22 H24 I N3 O5I 1 2 115.4356; 7.9667; 36.8918
90; 101.429; 90
4446.66Mattila, Milla; Rissanen, Kari; Ward, Jas S.
Chiral carbonyl hypoiodites.
Chemical communications (Cambridge, England), 2023, 59, 4648-4651
7132997 CIFC132 H130 N6 O13 S3I 1 2 151.7627; 21.7575; 57.0058
90; 90.443; 90
64199.5Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7133036 CIFC21 H34 O4I 1 2 120.0209; 6.9482; 29.3036
90; 107.026; 90
3897.74Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji
9-Step Synthesis of (−)-Larikaempferic Acid Methyl Ester Enabled by Skeletal Rearrangement
Chemical Communications, 2024
7153236 CIFC31 H32 N4 O5 S2I 1 2 126.5105; 8.1629; 27.3038
90; 90.2; 90
5908.6López, Miguel Vázquez; Bermejo, Manuel R.; Vázquez, M Eugenio; Taglietti, Angelo; Zaragoza, Guillermo; Pedrido, Rosa; Martínez-Calvo, Miguel
Sulfonamide-imines as selective fluorescent chemosensors for the fluoride anion.
Organic & biomolecular chemistry, 2010, 8, 357-362
7153600 CIFC18 H24 O4I 1 2 116.9067; 7.6918; 13.0515
90; 101.576; 90
1662.7Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin
New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.
Organic & biomolecular chemistry, 2014, 12, 732-736
7156206 CIFC69 H113 N17 O18I 1 2 124.5384; 8.9796; 40.3241
90; 105.026; 90
8581.4Ben 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
7156498 CIFC22 H36 N4 O7I 1 2 120.6903; 5.75339; 23.2601
90; 110.085; 90
2600.48Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio
A novel peptide conformation: the γ-bend ribbon.
Organic & biomolecular chemistry, 2018, 16, 7947-7958
7156952 CIFC122 H158 Cl6 N12 O24I 1 2 123.7456; 29.0274; 27.4514
90; 101.549; 90
18538.4Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina
Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.
Organic & biomolecular chemistry, 2019, 17, 6980-6984
7157015 CIFC31 H26 N2 O4 SI 1 2 112.1351; 8.4982; 26.9828
90; 95.024; 90
2772Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil
The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction.
Organic & biomolecular chemistry, 2019, 17, 8140-8148
7157335 CIFC14 H15 F3 O4 SI 1 2 117.4373; 5.6433; 16.0752
90; 103.086; 90
1540.78Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng
Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.
Organic & biomolecular chemistry, 2020, 18, 1607-1611
7157372 CIFC20 H32 F6I 1 2 110.939; 5.285; 35.06
90; 95.01; 90
2019Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David
Probing the helical integrity of multivicinal all-syn-fluoro alkanes.
Organic & biomolecular chemistry, 2020, 18, 878-887
7158108 CIFC32 H26 Br N O4.5I 1 2 17.179; 15.131; 26.209
90; 92.737; 90
2843.7Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang
Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.
Organic & biomolecular chemistry, 2021, 19, 5836-5843
7158864 CIFC29 H51.5 O1.75I 1 2 113.3918; 6.3858; 62.756
90; 94.619; 90
5349.3Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph
Synthesis of Obtusifoliol and Analogues as CYP51 Substrates
Organic & Biomolecular Chemistry, 2022
7159418 CIFC34 H34 N O7I 1 2 119.2; 5.3821; 32.153
90; 98.636; 90
3284.9Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.
Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.
Organic & biomolecular chemistry, 2023, 21, 5117-5128
7200396 CIFC24 H38 N4 O8 S2I 1 2 124.866; 5.1362; 24.893
90; 111.12; 90
2965.7Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam
Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound
CrystEngComm, 2009, 11, 756
7203250 CIFC44 H32 F6 N4 O4 S4I 1 2 116.2521; 16.252; 15.5357
90; 90; 90
4103.4Brückner, Christian; Foss, Paul C. D.; Sullivan, James O.; Pelto, Ryan; Zeller, Matthias; Birge, Robert R.; Crundwell, Guy
Origin of the bathochromically shifted optical spectra of meso-tetrathien-2'- and 3'-ylporphyrins as compared to meso-tetraphenylporphyrin.
Physical chemistry chemical physics : PCCP, 2006, 8, 2402-2412
7204496 CIFC42 H36 O5I 1 2 19.656; 9.089; 18.142
90; 91.24; 90
1591.8Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard
Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography
Journal of the Chemical Society, Perkin Transactions 1, 2002, 2673
7204497 CIFC42 H37 N O4I 1 2 19.8515; 8.988; 17.9926
90; 91.406; 90
1592.7Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard
Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography
Journal of the Chemical Society, Perkin Transactions 1, 2002, 2673
7207831 CIFMo3 Na2 O16 Te3I 1 2 17.313; 11.236; 8.2171
90; 97.26; 90
669.8Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong
Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16
CrystEngComm, 2012, 14, 3490
7217672 CIFC22 H36 O5I 1 2 120.3298; 9.17075; 24.619
90; 112.723; 90
4233.71Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan
Labdane-Type Diterpenoids from Croton laevigatus
RSC Advances, 2014
7219266 CIFC121 H168.5 Cl2 Co8 N2.5 O25.5 S8I 1 2 111.7307; 21.7103; 27.772
90; 89.317; 90
7072.4Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun
Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid
CrystEngComm, 2015, 17, 1750
7220231 CIFC23 H42 F6 N4 O4 S2I 1 2 119.2495; 10.09683; 34.277
90; 105.887; 90
6407.6Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John
Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids
RSC Adv., 2015
7223218 CIFC84 H74 Fe N7 O4I 1 2 113.412; 10.469; 29.031
90; 100.999; 90
4001.4Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev
Arene-based Fluorescent Probes for the Selective Detection of Iron
RSC Adv., 2015
7229224 CIFC12 H26 Ca I2 N6 O8I 1 2 116.7254; 4.87733; 14.9091
90; 97.3744; 90
1206.15Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario
Ionic co-crystals of enantiopure and racemic histidine with calcium halides
CrystEngComm, 2017
7232429 CIFC15 H31.56 N4 O2I 1 2 120.4259; 4.79492; 21.6606
90; 102.636; 90
2070.07Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives
CrystEngComm, 2019, 21, 2398
7232433 CIFC20 H18 F8 O10 ZnI 1 2 112.6244; 15.2868; 38.1764
90; 97.201; 90
7309.4Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.
Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units
CrystEngComm, 2019, 21, 2524
7232537 CIFC40 H44 F2 N2 O11I 1 2 118.96; 6.7993; 29.935
90; 91.638; 90
3857.5Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier
Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms
CrystEngComm, 2019, 21, 3668
7237805 CIFC30 H42 N6 O4I 1 2 120.73; 4.899; 31.185
90; 107.945; 90
3013Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin
Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations
Journal of Materials Chemistry C, 2019, 7, 6767
7237807 CIFC30 H42 N6 O4I 1 2 120.776; 4.8989; 31.193
90; 108.04; 90
3018.7Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin
Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations
Journal of Materials Chemistry C, 2019, 7, 6767
7239860 CIFC23 H28 N2 O5I 1 2 120.281; 5.226; 22.662
90; 105.39; 90
2316Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda
Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials
RSC Advances, 2020, 10, 5220-5233
7240127 CIFC124 H144 N16 O8I 1 2 118.197; 18.1795; 23.1831
90; 100.957; 90
7529.4Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei
A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks
Green Chemistry, 2020, 22, 2498-2504
7240375 CIFC48 H60 Cs5.5 Mo10 Na6 O102 P4I 1 2 119.0337; 16.6107; 43.9445
90; 93.491; 90
13867.8Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.
Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations
CrystEngComm, 2020
7240378 CIFC96 H110 K20 Mo20 Na1.5 O193 P8I 1 2 136.048; 16.1202; 47.517
90; 111.956; 90
25609Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.
Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations
CrystEngComm, 2020
7240695 CIFC12 H17 N3 OI 1 2 112.7286; 13.6712; 15.1669
90; 113.349; 90
2423.14Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.
Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study
RSC Advances, 2020, 10, 22397-22416
7243420 CIFC25 H32 N2 O7I 1 2 120.206; 6.6378; 20.461
90; 116.74; 90
2450.8Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil
Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility
CrystEngComm, 2021, 23, 6942-6951
7243578 CIFC31 H38 N O7.5 S2I 1 2 121.8237; 6.3425; 23.2717
90; 112.529; 90
2975.4Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo
Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate
CrystEngComm, 2021, 23, 6838-6842
7244524 CIFC16 H19.67 N3 O4.33 SI 1 2 116.8521; 11.9552; 26.6656
90; 108.107; 90
5106.3Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun
Understanding the role of solvent in regulating the crystal habit
CrystEngComm, 2022, 24, 2226-2240
7245754 CIFC21 H21 N O4I 1 2 124.533; 5.04577; 30.1674
90; 109.516; 90
3519.82Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin
Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds
CrystEngComm, 2022
7245842 CIFC30 H24 Br4 N2 Ni O2I 1 2 110.1024; 10.91929; 13.0659
90; 106.645; 90
1380.92Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7245843 CIFC30 H24 Br2 Cl2 N2 Ni O2I 1 2 110.1101; 10.85749; 13.0218
90; 107.285; 90
1364.85Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7245844 CIFC30 H24 Cl4 N2 Ni O2I 1 2 19.98147; 10.86524; 12.8851
90; 106.697; 90
1338.48Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7245845 CIFC30 H24 Br2 Cl2 N2 Ni O2I 1 2 110.0967; 10.85; 13.0172
90; 107.314; 90
1361.41Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7245846 CIFC30 H24 Br4 N2 Ni O2I 1 2 110.1059; 10.9312; 13.0682
90; 106.621; 90
1383.32Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7245847 CIFC30 H24 Cl4 N2 Ni O2I 1 2 19.9679; 10.8655; 12.8831
90; 106.713; 90
1336.38Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal
CrystEngComm, 2023, 25, 365-377
7248682 CIFC25 H25 Cl3 F17 N3 O2I 1 2 122.4357; 5.2436; 27.9895
90; 96.882; 90
3269.1Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph
New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy
RSC Medicinal Chemistry, 2024
7248883 CIFC154 H138 B6 Co5 F24 N24 O16 P4I 1 2 120.379; 20.997; 20.579
90; 92.08; 90
8800Ward, Jas S.; Kruger, Paul
A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands
CrystEngComm, 2024

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