Crystallography Open Database

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7150608 CIFC22 H12 N2 S2P b c n21.4777; 10.0334; 7.525
90; 90; 90
1621.6Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7151034 CIFC18 H18 OP b c n8.8975; 12.1847; 24.8677
90; 90; 90
2696Iqbal, Mazhar; Duffy, Patricia; Evans, Paul; Cloughley, George; Allan, Bernard; Lledó, Agustí; Verdaguer, Xavier; Riera, Antoni
The conjugate addition–Peterson olefination reaction for the preparation of cross-conjugated cyclopentenone, PPAR-γ ligands
Organic & Biomolecular Chemistry, 2008, 6, 4649-4661
7151120 CIFC24 H28 F2 O9P b c n13.7696; 8.3551; 20.4951
90; 90; 90
2357.89Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael
Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.
Organic & biomolecular chemistry, 2007, 5, 2464-2471
7151139 CIFC19 H21 N O6P b c n14.913; 15.95; 14.25
90; 90; 90
3389.5Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.
Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.
Organic & biomolecular chemistry, 2007, 5, 2983-2991
7151159 CIFC12 H12 Br N O2 SP b c n16.5525; 10.1393; 14.0826
90; 90; 90
2363.49Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S.
One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams.
Organic & biomolecular chemistry, 2007, 5, 3472-3476
7151215 CIFC20 H14 I3 N OP b c n17.213; 14.912; 15.658
90; 90; 90
4019.1Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine
Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.
Organic & biomolecular chemistry, 2006, 4, 2106-2118
7151252 CIFC24 H18 N6 OP b c n13.111; 10.123; 14.928
90; 90; 90
1981.3Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie
Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.
Organic & biomolecular chemistry, 2006, 4, 3652-3663
7151332 CIFC45 H30 N4 Ni O2P b c n17.0768; 14.1377; 27.7514
90; 90; 90
6699.9Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski
Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement
Organic & Biomolecular Chemistry, 2006, 4, 4059
7151333 CIFC45 H30 Cu N4 O2P b c n17.074; 14.209; 27.882
90; 90; 90
6764.3Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski
Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement
Organic & Biomolecular Chemistry, 2006, 4, 4059
7151968 CIFC32 H42 N O2 P SiP b c n46.284; 12.2793; 11.1201
90; 90; 90
6319.9Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha
C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.
Organic & biomolecular chemistry, 2011, 9, 6246-6255
7152234 CIFC66 H100 Ag2 F12 O16 P2P b c n14.6967; 21.036; 23.8819
90; 90; 90
7383.3Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija
Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.
Organic & biomolecular chemistry, 2012, 10, 2019-2025
7152330 CIFC59 H78 Cl2 O10P b c n42.526; 15.758; 16.686
90; 90; 90
11182Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju
Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.
Organic & biomolecular chemistry, 2012, 10, 3393-3397
7152601 CIFC28 H30 OP b c n7.6851; 16.8705; 16.3611
90; 90; 90
2121.24Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther
Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.
Organic & biomolecular chemistry, 2012, 10, 7062-7069
7152904 CIFC14 H20 N2 O2P b c n15.663; 8.2891; 21.056
90; 90; 90
2733.7Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152925 CIFC11 H19 N O2P b c n9.7809; 11.4606; 20.8757
90; 90; 90
2340.06Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.
Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.
Organic & biomolecular chemistry, 2013, 11, 3484-3493
7153432 CIFC7 H5 N O2P b c n5.1445; 14.134; 8.0639
90; 90; 90
586.35McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.
Pyrrolizine-1,3-dione.
Organic & biomolecular chemistry, 2010, 8, 4383-4387
7153511 CIFC18 H29 N O9P b c n15.652; 10.174; 28.07
90; 90; 90
4470Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick
Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.
Organic & biomolecular chemistry, 2010, 8, 5628-5634
7153712 CIFC38 H28 N4 O4P b c n23.3123; 14.7753; 18.256
90; 90; 90
6288.21Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko
Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.
Organic & biomolecular chemistry, 2014, 12, 2784-2791
7154509 CIFC17 H11 Cl2 NP b c n21.3422; 8.1975; 8.0145
90; 90; 90
1402.16Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter
Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.
Organic & biomolecular chemistry, 2015, 13, 6832-6838
7154549 CIFC19 H17 B Br Cl2 F2 N3 O2P b c n14.8291; 12.6719; 21.3493
90; 90; 90
4011.81Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki
Lysosome targeting fluorescence probe for imaging intracellular thiols.
Organic & biomolecular chemistry, 2015, 13, 8163-8168
7154826 CIFC8 H12 F4 OP b c n18.859; 10.647; 8.927
90; 90; 90
1792Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David
Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.
Organic & biomolecular chemistry, 2016, 14, 1117-1123
7155036 CIFC20 H14 N4P b c n11.1295; 11.4081; 12.1912
90; 90; 90
1547.9Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna
Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.
Organic & biomolecular chemistry, 2016, 14, 3793-3808
7155403 CIFC16 H10 Cl2 N2 O2P b c n13.5987; 7.2344; 13.7418
90; 90; 90
1351.9Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján
Twisting the ethano-Tröger's base: the bisamide.
Organic & biomolecular chemistry, 2017, 15, 628-633
7155507 CIFC17 H12 N2 O3P b c n25.356; 6.9395; 7.4967
90; 90; 90
1319.1Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael
Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.
Organic & biomolecular chemistry, 2017, 15, 2784-2790
7155549 CIFC18 H18 N2 O3P b c n13.8048; 15.2327; 15.2102
90; 90; 90
3198.47Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei
An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.
Organic & biomolecular chemistry, 2017, 15, 3638-3647
7155630 CIFC16 H16 O2P b c n15.81826; 9.23296; 8.32936
90; 90; 90
1216.5Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin
Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides
Org. Biomol. Chem., 2017
7155970 CIFC24 H22 N2 O4P b c n19.2545; 15.5146; 13.4314
90; 90; 90
4012.3Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto
Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols
Organic & Biomolecular Chemistry, 2017
7156283 CIFC10 H10 F2 N4 O8P b c n12.1505; 10.471; 10.2881
90; 90; 90
1308.9Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun
Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.
Organic & biomolecular chemistry, 2018, 16, 4784-4788
7156359 CIFC23 H14 O2P b c n9.1068; 13.5461; 26.1677
90; 90; 90
3228.1Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun
Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.
Organic & biomolecular chemistry, 2018, 16, 6077-6085
7156506 CIFC6 H6 N8 O2P b c n8.0308; 7.8229; 12.8172
90; 90; 90
805.23Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
7156599 CIFC16 H12 Br NP b c n13.856; 6.4827; 28.807
90; 90; 90
2587.6Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.
Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.
Organic & biomolecular chemistry, 2019, 17, 347-353
7156601 CIFC16 H12 Br NP b c n13.856; 6.4827; 28.807
90; 90; 90
2587.6Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S
Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.
Organic & biomolecular chemistry, 2019, 17, 283-289
7156918 CIFC26 H24 O4P b c n11.9937; 11.8843; 30.2028
90; 90; 90
4305Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan
Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.
Organic & biomolecular chemistry, 2019, 17, 6620-6628
7157529 CIFC17 H17 F3 O2P b c n24.336; 7.1684; 16.7513
90; 90; 90
2922.3Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi
Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.
Organic & biomolecular chemistry, 2020, 18, 4638-4644
7157644 CIFC21 H16 N2 O4P b c n17.6367; 13.5661; 14.5573
90; 90; 90
3483Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul
<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.
Organic & biomolecular chemistry, 2020, 18, 6537-6548
7157735 CIFC40 H52 O11P b c n17.1752; 8.82114; 24.8611
90; 90; 90
3766.58Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.
Functionalized fluorescent terephthalate monomers and their attempted polyester formation.
Organic & biomolecular chemistry, 2020, 18, 8735-8745
7157812 CIFC8 H10 O4 S2P b c n10.1116; 12.9234; 7.4954
90; 90; 90
979.47Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.
Organic & biomolecular chemistry, 2021, 19, 446-456
7157910 CIFC22 H19 Br N4 O4P b c n23.3635; 9.5879; 17.6817
90; 90; 90
3960.82Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz
Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.
Organic & biomolecular chemistry, 2021, 19, 2716-2724
7158011 CIFC23 H26 N2P b c n14.1551; 9.5932; 13.369
90; 90; 90
1815.41Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Organic & biomolecular chemistry, 2021, 19, 4076-4081
7158045 CIFC42 H20 Cl8 F4 O4 Sb2P b c n11.179; 18.388; 19.517
90; 90; 90
4011.9You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P
Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.
Organic & biomolecular chemistry, 2021, 19, 4949-4957
7158262 CIFC33 H32 OP b c n36.302; 17.985; 8.873
90; 90; 90
5793Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo
TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.
Organic & biomolecular chemistry, 2021, 19, 7883-7893
7158511 CIFC20 H14 Br N3 OP b c n19.5352; 14.0585; 13.9778
90; 90; 90
3838.8Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa
Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.
Organic & biomolecular chemistry, 2022, 20, 2069-2074
7158917 CIFC34 H28 N2 O4 SP b c n13.785; 14.0217; 29.4717
90; 90; 90
5696.6Dehghanpour Kalan, Reza; Amiri, Kamran; Rominger, Frank -; Balalaie, Saeed; Bijanzadeh, Hamid Reza
Regio- and diastereoselective transition metal-free hydroalkylation of N-allenyl sulfonamides by push-pull 2-alkynylquinolines
Organic & Biomolecular Chemistry, 2022
7158923 CIFC28 H24 N2 O5P b c n7.4851; 11.8514; 25.8916
90; 90; 90
2296.82Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.
Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles
Organic & Biomolecular Chemistry, 2022
7158926 CIFC52 H50 N6 O10P b c n17.0998; 18.8164; 29.2275
90; 90; 90
9404.1Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.
Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles
Organic & Biomolecular Chemistry, 2022
7159080 CIFC245.7 H233.7 Cl23.69 N40 O42P b c n25.12; 27.45; 40.02
90; 90; 90
27596Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan
Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.
Organic & biomolecular chemistry, 2023, 21, 1275-1283
7159717 CIFC11 H16 O3P b c n13.5552; 7.1623; 23.1013
90; 90; 90
2242.82Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
Two-step, high-yielding total synthesis of antibiotic pyrones.
Organic & biomolecular chemistry, 2024, 22, 554-560
7159735 CIFC28 H31 F2 N SiP b c n19.9358; 15.8356; 15.2943
90; 90; 90
4828.34Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav
Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.
Organic & biomolecular chemistry, 2024, 22, 1047-1056
7159861 CIFC24 H20 N2 O7 S2P b c n15.7; 11.2137; 13.4533
90; 90; 90
2368.5Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K.
Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes.
Organic & biomolecular chemistry, 2024, 22, 3045-3052
7160738 CIFC45 H36 O4P b c n34.0625; 15.8412; 29.0629
90; 90; 90
15682.1Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin
Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction.
Organic & biomolecular chemistry, 2025, 23, 9330-9335

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