Crystallography Open Database

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7156524 CIFC8 H6 Cl2 O2 SP -14.9268; 7.7; 12.5316
89.531; 82.298; 77.518		459.87Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7156685 CIFC24 H23 Br O3P 15.8561; 8.9674; 10.0618
94.232; 97.739; 98.721		515.12Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156912 CIFC10 H12 N2 O4P -17.6784; 7.8448; 9.1114
91.933; 101.72; 105.491		515.61Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156672 CIFC13 H7 N O3 SP -15.4276; 9.6873; 10.8442
69.319; 82.283; 83.399		527.2Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter
In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors.
Organic & biomolecular chemistry, 2019, 17, 2448-2466
7157188 CIFC12 H13 Br O3P 1 21 15.845; 7.6852; 12.8843
90; 100.457; 90		569.15Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.
Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.
Organic & biomolecular chemistry, 2019, 17, 7398-7407
7156762 CIFC12 H9 Cl O2 S2P -17.2227; 8.8688; 9.7985
72.745; 86.41; 77		584.04Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7156894 CIFC13 H11 B F2 N2 OP -18.8495; 9.1023; 9.2653
62.94; 89.372; 69.175		610.93Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156761 CIFC16 H16 O3P 1 21 18.5399; 7.2817; 10.6201
90; 105.546; 90		636.25Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław
Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.
Organic & biomolecular chemistry, 2019, 17, 4238-4242
7156760 CIFC16 H16 O4P 1 21 17.92142; 7.19257; 11.36141
90; 97.7125; 90		641.465Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław
Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.
Organic & biomolecular chemistry, 2019, 17, 4238-4242
7156719 CIFC15 H8 Br N S2P -16.8836; 7.0346; 13.579
88.344; 89.963; 79.153		645.52Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng
Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.
Organic & biomolecular chemistry, 2019, 17, 3424-3432
7156746 CIFC11 H17 F3 N2 O2P -17.0958; 8.4262; 11.316
87.424; 82.903; 75.668		650.44Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.
Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.
Organic & biomolecular chemistry, 2019, 17, 4273-4280
7156764 CIFC15 H14 O2 S2P -17.5548; 8.985; 11.3559
75.451; 79.463; 65.962		678.58Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7157157 CIFC16 H13 N O2 SP -16.4036; 7.8241; 14.538
85.37; 89.441; 70.995		686.3You, Guirong; Xi, Dan; Sun, Jian; Hao, Liqiang; Xia, Chengcai
Transition-metal- and oxidant-free three-component reaction of quinoline N-oxides, sodium metabisulfite and aryldiazonium tetrafluoroborates via a dual radical coupling process.
Organic & biomolecular chemistry, 2019, 17, 9479
7156616 CIFC16 H11 N O3 SP -17.342; 8.954; 11.714
70.226; 83.607; 72.23		690.1McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.
Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.
Organic & biomolecular chemistry, 2019, 17, 622-638
7156896 CIFC26 H32 B2 F4 N2 O6P 18.1582; 9.4094; 9.4305
98.033; 94.918; 94.971		710.6Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156868 CIFC6 H10 F2 O4P 21 21 218.3866; 8.4182; 10.232
90; 90; 90		722.38Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno
Synthesis of vicinal dideoxy-difluorinated galactoses.
Organic & biomolecular chemistry, 2019, 17, 5331-5340
7156720 CIFC16 H8 F3 N S3P -14.2674; 12.9135; 13.473
77.893; 87.653; 86.789		724.48Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng
Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.
Organic & biomolecular chemistry, 2019, 17, 3424-3432
7156612 CIFC16 H10 N2 O5 SP -17.552; 8.2283; 12.801
74.726; 86.674; 72.819		732.95McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.
Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.
Organic & biomolecular chemistry, 2019, 17, 622-638
7157130 CIFC16 H12 F Fe I SP -17.2; 10.0755; 11.5617
64.721; 78.205; 84.196		742.31Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7156957 CIFC18 H13 Cl N2 OP -16.3411; 7.109; 16.557
93.165; 92.574; 92.317		743.8Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde
Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.
Organic & biomolecular chemistry, 2019, 17, 7342-7351
7157074 CIFC16 H11 Br2 Cl O2P -18.6085; 9.1123; 10.0471
74.183; 80.293; 85.184		746.83Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D
An easily accessible isospiropyran switch.
Organic & biomolecular chemistry, 2019, 17, 9124-9128
7157007 CIFC35 H38 N4 S2P 19.0135; 9.2173; 10.0939
100.231; 94.54; 112.553		752.08Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Organic & biomolecular chemistry, 2019, 17, 7782-7793
7156959 CIFC18 H13 Br N2 OP -16.192; 7.311; 16.718
87.67; 85.16; 86.34		752.1Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde
Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.
Organic & biomolecular chemistry, 2019, 17, 7342-7351
7156939 CIFC9 H7 Cl O2P 1 21/c 15.6807; 11.3724; 11.9319
90; 98.979; 90		761.39Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.
The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.
Organic & biomolecular chemistry, 2019, 17, 6790-6798
7156928 CIFC16 H19 N O5P -16.691; 7.895; 15.59
85.482; 85.127; 68.851		764.3Salam, Abdus; Ray, Sayan; Zaid, Md Abu; Kumar, Dileep; Khan, Tabrez
Total syntheses of several iridolactones and the putative structure of noriridoid scholarein A: an intramolecular Pauson-Khand reaction based one-stop synthetic solution.
Organic & biomolecular chemistry, 2019, 17, 6831-6842
7156913 CIFC15 H15 N O6 SP -17.7698; 9.8328; 11.4487
68.144; 73.035; 76.069		767.82Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156782 CIFC18 H15 N3 OP -19.405; 9.471; 9.815
84.218; 63.798; 78.437		768.4Chen, Jinpeng; Liang, Taoyuan; Zhao, He; Lin, Chuyuan; Chen, Lu; Zhang, Min
Silver-mediated three-component cycloaddition reaction for direct synthesis of 1-N-vinyl-substituted 1,2,3-triazoles.
Organic & biomolecular chemistry, 2019, 17, 4843-4849
7156958 CIFC16 H11 Br N2 O SP -14.73; 10.2; 16.8
77; 86; 77.3		770Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde
Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.
Organic & biomolecular chemistry, 2019, 17, 7342-7351
7157121 CIFC18 H15 N O3 SP -18.5498; 9.8965; 10.498
86.67; 77.284; 65.193		785.94Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar
Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.
Organic & biomolecular chemistry, 2019, 17, 9151-9162
7156791 CIFC18 H18 O5 SP -18.4865; 8.5936; 13.0039
71.285; 82.909; 65.007		814.03Chinta, Bhavani Shankar; Gandhi, Soniya; Baire, Beeraiah
Acid catalysed rearrangement of isobenzofurans to angularly fused phthalides.
Organic & biomolecular chemistry, 2019, 17, 4715-4719
7157151 CIFC22 H14 N2 OP 1 n 18.7248; 8.5852; 11.534
90; 105.252; 90		833.5Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.
Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.
Organic & biomolecular chemistry, 2019, 17, 9467
7156888 CIFC16 H21 N O6P 1 21 15.4441; 18.1287; 8.5243
90; 95.698; 90		837.14Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek
Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.
Organic & biomolecular chemistry, 2019, 17, 6251-6268
7156960 CIFC18 H11 Br Cl2 N2 OP -18.722; 9.677; 11.637
101.028; 103.348; 112.332		840.4Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde
Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.
Organic & biomolecular chemistry, 2019, 17, 7342-7351
7156743 CIFC22 H16 Br N OP -18.7437; 9.0981; 11.3532
89.931; 69.876; 83.515		841.91Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil
Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.
Organic & biomolecular chemistry, 2019, 17, 4281-4290
7156983 CIFC20 H20 N4 OP -19.1911; 10.2029; 10.5844
105.786; 112.987; 97.227		848.6Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu
Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.
Organic & biomolecular chemistry, 2019, 17, 7320-7324
7156655 CIFC21 H20 O2P -16.299; 11.213; 12.297
92.294; 92.253; 96.879		860.8Satpathi, Bishnupada; Dutta, Lona; Ramasastry, S. S. V.
Phosphine- and water-promoted pentannulative aldol reaction.
Organic & biomolecular chemistry, 2019, 17, 1547-1551
7156683 CIFC19 H21 Cl O3P 1 21 19.3718; 5.8521; 16.3645
90; 106.047; 90		862.54Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156916 CIFC21 H21 N3 OP 1 21 19.1516; 5.26734; 17.986
90; 94.683; 90		864.11Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua
Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.
Organic & biomolecular chemistry, 2019, 17, 6461-6464
7157076 CIFC16 H13 Cl3 N2 O3P -18.0552; 10.2825; 11.7512
86.964; 71.0335; 70.4039		865.45Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.
Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.
Organic & biomolecular chemistry, 2019, 17, 8853-8857
7156882 CIFC19 H20 O6P -17.7673; 8.9291; 12.6819
99.235; 90.839; 93.211		866.54O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.
Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.
Organic & biomolecular chemistry, 2019, 17, 6184-6200
7156678 CIFC22 H17 N3 OP -18.624; 8.992; 13.312
92.425; 103.464; 118.016		872.3Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng
Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.
Organic & biomolecular chemistry, 2019, 17, 2356-2360
7157011 CIFC21 H22 O3P -16.3862; 8.2346; 17.2255
100.358; 97.648; 95.824		875.83Liang, Yi-En; Lu, Chia-Ling; Li, Wen-Tai
Pd-Catalyzed sequential hydroarylation and olefination reactions of 3-allylchromones.
Organic & biomolecular chemistry, 2019, 17, 7569-7583
7156732 CIFC18 H6 B F5 N2 O0 S4P -18.209; 9.719; 12.587
111.424; 104.496; 96.556		881.2Sun, Yijuan; Qu, Zhirong; Zhou, Zhikuan; Gai, Lizhi; Lu, Hua
Thieno[3,2-b]thiophene fused BODIPYs: synthesis, near-infrared luminescence and photosensitive properties.
Organic & biomolecular chemistry, 2019, 17, 3617-3622
7156681 CIFC19 H21 Br O3P 1 21 19.6654; 5.3717; 17.065
90; 95.42; 90		882Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
1552259 CIFC10 H6 Cl N O2P 1 21/c 18.082; 5.884; 19.02
90; 101.21; 90		887.2Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng
B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.
Organic & biomolecular chemistry, 2019, 17, 8354-8357
7156796 CIFC18 H25 N2 O2 SP 1 n 16.13461; 13.8919; 10.4572
90; 91.4472; 90		890.89Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi
Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.
Organic & biomolecular chemistry, 2019, 17, 4783-4788
7156605 CIFC11.5 H10.5 N1.5 OP 1 21 110.5966; 7.8609; 11.8783
90; 114.143; 90		902.899Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng
Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.
Organic & biomolecular chemistry, 2019, 17, 1053-1057
7156770 CIFC23 H18 F N O4P -18.6622; 10.7712; 11.176
102.418; 97.3598; 113.427		907.48Shinde, Sundar S.; Laha, Soumi; Tiwari, Dharmendra K.; Sridhar, B.; Likhar, Pravin R.
A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides.
Organic & biomolecular chemistry, 2019, 17, 4121-4128
7156817 CIFC22 H21 F N2 OP -17.4796; 8.7825; 14.3379
79.991; 78.903; 89.752		909.76Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.
Synthesis of pyrazolylvinyl ketones from furan derivatives.
Organic & biomolecular chemistry, 2019, 17, 4850-4855
7156995 CIFC18 H16 Br2 N2 O3P -15.574; 12.623; 14.179
110.91; 95.03; 95.13		920.5Sun, Li; Liu, Yi; Wang, Yankai; Li, Yuanyuan; Liu, Zhiwen; Lu, Tao; Li, Wenhai
An efficient synthesis of oxazolines via a cascade reaction between azaoxyallyl cations and 1,2-benzisoxazoles.
Organic & biomolecular chemistry, 2019, 17, 7526-7530

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