Crystallography Open Database

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7116799 CIFC42 H57 N O2 ZrP 3225.473; 25.473; 15.017
90; 90; 120
8439Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie
Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism
Chem.Commun., 2015, 51, 5751
7119324 CIFC21 H12 O2P 329.98192; 9.98192; 11.95006
90; 90; 120
1031.17Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro
Sumanene derivatives functionalized at the internal carbon.
Chemical communications (Cambridge, England), 2017, 53, 697-700
7121182 CIFC24 H30 N3 O PP 3212.209; 12.209; 12.997
90; 90; 120
1677.8Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy
Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.
Chemical communications (Cambridge, England), 2018, 54, 1873-1876
7121235 CIFC24 H16 F2 N2P 3228.9605; 28.9605; 5.6946
90; 90; 120
4136.2Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.
Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.
Chemical communications (Cambridge, England), 2018, 54, 2228-2231
7121353 CIFC36 H50 N2 Na O10 ScP 3216.138; 16.138; 11.833
90; 90; 120
2668.9Seo, Min-Seob; Jang, Sumin; Kim, Hyunwoo
A chiral aluminum solvating agent (CASA) for <sup>1</sup>H NMR chiral analysis of alcohols at low temperature.
Chemical communications (Cambridge, England), 2018, 54, 6804-6807
7121404 CIFC30 H44 N12 O30 P8 Zn8P 3215.2377; 15.2377; 21.055
90; 90; 120
4233.7Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Shang, Meng-Meng; Wang, Guo-Ming
An organic-inorganic hybrid zinc phosphite framework with room temperature phosphorescence.
Chemical communications (Cambridge, England), 2018, 54, 3712-3714
7122447 CIFC283 H252 F21 Fe4 N36 O33 S7P 3223.752; 23.752; 49.776
90; 90; 120
24319Han, Wang-Kang; Zhang, Hai-Xia; Wang, Yong; Liu, Wei; Yan, Xiaodong; Li, Tao; Gu, Zhi-Guo
Tetrahedral metal-organic cages with cube-like cavities for selective encapsulation of fullerene guests and their spin-crossover properties.
Chemical communications (Cambridge, England), 2018, 54, 12646-12649
7122716 CIFC18 H15 Cl N2 O5P 3211.0671; 11.0671; 11.8214
90; 90; 120
1253.91Liang, Lei; Niu, Hongying; Wang, Dong-Chao; Yang, Xinhe; Qu, Gui-Rong; Guo, Hai-Ming
Facile Synthesis of Chiral [2,3]-Fused Hydrobenzofuran via Asymmetric Cu(I)-Catalyzed Dearomative 1,3-Dipolar Cycloaddition
Chemical Communications, 2018
7123509 CIFC23 H34 B F6 N3 O6 S2P 3210.6336; 10.6336; 22.522
90; 90; 120
2205.46Mercea, Dan; Howlett, Michael; Piascik, Adam D.; Scott, Daniel; Steven, Alan; Ashley, Andrew Edward; Fuchter, Matthew
Enantioselective reduction of N-alkyl ketimines with frustrated Lewis pair catalysis using chiral borenium ions
Chemical Communications, 2019
7126862 CIFC16 H20 Cl N2 O5P 3211.309; 11.309; 11.3065
90; 90; 120
1252.3Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming
Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.
Chemical communications (Cambridge, England), 2020, 56, 9102-9105
7127591 CIFC17 H17 B Cl F N2 O2P 3212.8397; 12.8397; 8.5551
90; 90; 120
1221.4Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki
Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.
Chemical communications (Cambridge, England), 2020, 56, 15305-15308
7127597 CIFC22 H35 As N2P 329.2425; 9.2425; 22.02
90; 90; 120
1629Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian
Aryl-substituted triarsiranes: synthesis and reactivity.
Chemical communications (Cambridge, England), 2021, 57, 1014-1017
7129779 CIFC30 H101 Br2 Cu6 Mn N6 O38.5 S6P 3215.134; 15.134; 27.686
90; 90; 120
5491.6San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi
Serendipitous formation of oxygen-bridged CuII6M (M = MnII, CoII) double cubanes showing electrocatalytic water oxidation
Chemical Communications, 2022
7131194 CIFC25 H16 OP 3210.8049; 10.8049; 12.9961
90; 90; 120
1313.97Xiao, Yonghong; Zhu, Can-Ming; Liang, Rong-Bin; Huang, Yong-Liang; Hai, Chun-Hua; Chen, Jian-Rui; Li, Mian; Zhong, Jian-Ji; Huang, Xiao-Chun
Building a cobaloxime-based metal-organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols.
Chemical communications (Cambridge, England), 2023, 59, 2239-2242
7152807 CIFC24 H44 N4 O9P 3213.503; 13.503; 14.005
90; 90; 120
2211Ganesh 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
7153242 CIFC14 H18 O4 SP 3211.6708; 11.6708; 8.9661
90; 90; 120
1057.6O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.
The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.
Organic & biomolecular chemistry, 2010, 8, 539-545
7153373 CIFC13 H16 N2 SP 3213.2914; 13.2914; 18.1404
90; 90; 120
2775.4Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.
Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.
Organic & biomolecular chemistry, 2010, 8, 3389-3393
7153872 CIFC17 H11 N3 O2 SP 3218.3921; 18.3921; 23.2883
90; 90; 120
6822.3Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang
Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.
Organic & biomolecular chemistry, 2014, 12, 5773-5780
7154126 CIFC18 H15 N O3P 3213.4156; 13.4156; 28.813
90; 90; 120
4491Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami
Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.
Organic & biomolecular chemistry, 2014, 12, 9644-9649
7155887 CIFC26 H27 N3 O4 SP 329.3298; 9.3298; 25.5998
90; 90; 120
1929.8Cui, Baodong; Chen, Yu; Shan, Jing; Qin, Lei; Yuan, Changlun; Wang, Yi; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng
Enantioselective Synthesis of Spiro-oxindole-based 3,4-Dihydropyrroles via a Michael/Cyclization Cascade of 3-Aminooxindoles with 2-Enoylpyridines
Org. Biomol. Chem., 2017
7158604 CIFC16 H26 N2 O3 SP 329.6924; 9.6924; 16.293
90; 90; 120
1325.5Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.
A stereochemical journey around spirocyclic glutamic acid analogs
Organic & Biomolecular Chemistry, 2022
7158607 CIFC16 H26 N2 O3 SP 3210.6671; 10.6671; 13.665
90; 90; 120
1346.6Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.
A stereochemical journey around spirocyclic glutamic acid analogs
Organic & Biomolecular Chemistry, 2022
7158991 CIFC10 H15 F O3P 3211.884; 11.884; 6.298
90; 90; 120
770.3Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John
Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues
Organic & Biomolecular Chemistry, 2022
7158993 CIFC9 H14 F2 O4P 3212.3659; 12.3659; 5.8839
90; 90; 120
779.2Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John
Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues
Organic & Biomolecular Chemistry, 2022
7160220 CIFC20 H18 N2 OP 3215.2367; 15.2367; 18.0166
90; 90; 120
3622.3Dolas, 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
7200373 CIFC6.45 H6.34 Cl0.55 OP 3216.1628; 16.1628; 5.9006
90; 90; 120
1334.93Oswald, Iain D. H.; Crichton, Wilson A.
Structural similarities of 2-chlorophenol and 2-methylphenol
CrystEngComm, 2009, 11, 463
7200374 CIFC7 H8 OP 3216.4153; 16.4153; 5.7931
90; 90; 120
1351.88Oswald, Iain D. H.; Crichton, Wilson A.
Structural similarities of 2-chlorophenol and 2-methylphenol
CrystEngComm, 2009, 11, 463
7206819 CIFC69 H51 Co4 N7 O18P 3219.8876; 19.8876; 19.1704
90; 90; 120
6566.4Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong
Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis
CrystEngComm, 2011, 13, 7236
7209134 CIFC18 H26 Ag5 I7 N2P 3212.073; 12.073; 20.906
90; 90; 120
2639Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong
Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study
CrystEngComm, 2013, 15, 1721
7209205 CIFC180 H262 Cl3 N120 O101P 3222.1502; 22.1502; 47.2588
90; 90; 120
20080.2Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.
Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture
CrystEngComm, 2013, 15, 1528
7213577 CIFC28 H30 Mo5 N6 O21 P2P 3211.1778; 11.1778; 27.641
90; 90; 120
2990.9Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon
Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components
CrystEngComm, 2014, 16, 191
7214533 CIFC26.4 H24.2 Co N2 O7.1P 3210.7022; 10.7022; 22.8742
90; 90; 120
2268.9Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate
CrystEngComm, 2013, 15, 9521
7214811 CIFC168 H216 Br12 Fe3 Mn6 N33 O24P 3228.5554; 28.5554; 19.2155
90; 90; 120
13569.3Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo
Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes
CrystEngComm, 2012, 14, 7320
7215222 CIFC12 H18 O3P 3214.756; 14.756; 4.819
90; 90; 120
908.7Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.
Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family
CrystEngComm, 2014, 16, 6716
7216386 CIFC28 H30 Co N4 O9P 3211.473; 11.473; 19.268
90; 90; 120
2196.4Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin
Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands
CrystEngComm, 2014, 16, 7701
7218425 CIFC168 H215.67 Cl6 N12 O46 S6P 3235.5; 35.5; 14.8
90; 90; 120
16153Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo
Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study
RSC Adv., 2014
7220982 CIFC17 H11 N O4 SP 3211.561; 11.561; 9.707
90; 90; 120
1123.59Montesinos-Magraner, Marc; Cantón, Rubén; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, Carmen; Pedro, Jose R.
Organocatalytic Enantioselective aza-Friedel-Crafts Reaction of 2-Naphthols with Benzoxathiazine 2,2-dioxides
RSC Adv., 2015
7221249 CIFCu2 Ge S4 SrP 326.143; 6.143; 15.282
90; 90; 120
499.427Teske, C.L.
Ueber die Darstellung und roentgenographische Untersuchung von Cu2 Sr Ge S4 und Cu2 Ba Ge S4
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1979, 34, 386-389
7224038 CIFC18 H22 N2 O5P 3213.7436; 13.7436; 7.5954
90; 90; 120
1242.46Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong
Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities
RSC Adv., 2016
7227209 CIFC9 H F9 N2P 3212.4065; 12.4065; 5.5725
90; 90; 120
742.81Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.
Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.
Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
7227210 CIFC9 H F9 N2P 3212.3863; 12.3863; 5.5727
90; 90; 120
740.42Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.
Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.
Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
7229207 CIFC4 H11 N O2P 326.9335; 6.9335; 10.7367
90; 90; 120
447Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.
Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions
Phys. Chem. Chem. Phys., 2017
7229939 CIFC15 H23 N O4P 3211.71759; 11.71759; 9.48728
90; 90; 120
1128.1Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.
11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons
CrystEngComm, 2018, 20, 1205
7230543 CIFC36 H48 F6 N12 O17 S4P 3229.3603; 29.3603; 20.4187
90; 90; 120
15243.3da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra
Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon
CrystEngComm, 2018, 20, 3049
7231434 CIFC17 H19 N0 O2P 329.5307; 9.5307; 12.9688
90; 90; 120
1020.19Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa
Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties
RSC Advances, 2018, 8, 30055
7231867 CIFF4 K TmP 3214.087; 14.087; 10.146
90; 90; 120
1743.7Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing
Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 30297-30303
7233827 CIFBr3 Cs HgP 328.0479; 8.0479; 9.904
90; 90; 120
555.5Songwei Lv; Qi Wu; Xianggao Meng; Lei Kang; Cheng Zhong; Zheshuai Lin; Zhanggui Hu; Xingguo Chen; Jingui Qin
A promising new nonlinear optical crystal with high laser damage threshold for application in the IR region: synthesis, crystal structure and properties of noncentrosymmetric CsHgBr3
Journal of Materials Chemistry C, 2014, 2, 6796-6801
7237804 CIFC28 H36 Cl2 N6 O6P 3210.66; 10.66; 24.2225
90; 90; 120
2383.77Wang, 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
7238286 CIFC57 H40 O4 S6P 3211.2067; 11.207; 32.115
90; 90; 120
3493.1Saad, Ali; Jeannin, Olivier; Fourmigué, Marc
Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions
CrystEngComm, 2010, 12, 3866
7239312 CIFC7.94 H6.53 N0.35 O0.18P 329.277; 9.277; 34.749
90; 90; 120
2589.9Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu
Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides
RSC Advances, 2013, 3, 25103

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