Crystallography Open Database

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Searching journal of publication like 'Beilstein Journal of Organic Chemistry'

COD ID: 1529449
CIF file Formula: - C14 H10 Br N -
Comments: Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship. Beilstein journal of organic chemistry 11 (2015) 1475-1485
Space group: P 1 21/n 1
Cell volume: 2281.3
Cell parameters: 9.7442; 13.1654; 17.8252; 90; 93.934; 90;  

COD ID: 1529450
CIF file Formula: - C14 H10 I N -
Comments: Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship. Beilstein journal of organic chemistry 11 (2015) 1475-1485
Space group: C 1 c 1
Cell volume: 1185.54
Cell parameters: 7.08; 20.666; 8.2442; 90; 100.632; 90;  

COD ID: 1529451
CIF file Formula: - C11 H10 I N O -
Comments: Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship. Beilstein journal of organic chemistry 11 (2015) 1475-1485
Space group: P 1 21/n 1
Cell volume: 1055.1
Cell parameters: 9.9461; 6.9825; 15.2049; 90; 92.314; 90;  

COD ID: 1529452
CIF file Formula: - C10 H7 Br I N -
Comments: Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship. Beilstein journal of organic chemistry 11 (2015) 1475-1485
Space group: P 1 21/n 1
Cell volume: 1024.96
Cell parameters: 10.0665; 5.9895; 17.5155; 90; 103.942; 90;  

COD ID: 1529453
CIF file Formula: - C14 H13 N3 O -
Comments: Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship. Beilstein journal of organic chemistry 11 (2015) 1475-1485
Space group: P 1 21/n 1
Cell volume: 1216.23
Cell parameters: 11.4222; 5.4888; 19.7338; 90; 100.562; 90;  

COD ID: 4028968
CIF file Formula: - C13 H14 Br N3 O2 -
Comments: Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S. The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids. Beilstein journal of organic chemistry 10 (2014) 117-126
Space group: P -1
Cell volume: 676.36
Cell parameters: 6.9659; 7.5441; 13.4092; 90.994; 90.947; 106.218;  

COD ID: 4028969
CIF file Formula: - C21 H19 Br Cl2 N2 O5 -
Comments: Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S. The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids. Beilstein journal of organic chemistry 10 (2014) 117-126
Space group: P -1
Cell volume: 1090.96
Cell parameters: 8.8751; 10.5764; 12.3519; 75.858; 84.297; 76.237;  

COD ID: 4029324
CIF file Formula: - C23 H17 N O2 -
Comments: Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S. Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems. Beilstein journal of organic chemistry 10 (2014) 784-793
Space group: C 1 2/c 1
Cell volume: 3299.7
Cell parameters: 34.473; 5.5047; 17.7523; 90; 101.619; 90;  

COD ID: 4029325
CIF file Formula: - C36 H30 N2 O6 -
Comments: Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S. Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems. Beilstein journal of organic chemistry 10 (2014) 784-793
Space group: P 1 21/c 1
Cell volume: 2897.5
Cell parameters: 12.1236; 18.2526; 13.4793; 90; 103.738; 90;  

COD ID: 4029326
CIF file Formula: - C26 H19 N O4 -
Comments: Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S. Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems. Beilstein journal of organic chemistry 10 (2014) 784-793
Space group: P 1 21/n 1
Cell volume: 4322.7
Cell parameters: 14.56; 17.9642; 17.1799; 90; 105.85; 90;  

COD ID: 4029327
CIF file Formula: - C37 H20 -
Comments: Shrestha, Binod Babu; Higashibayashi, Shuhei; Sakurai, Hidehiro Columnar/herringbone dual crystal packing of pyrenylsumanene and its photophysical properties. Beilstein journal of organic chemistry 10 (2014) 841-847
Space group: P 21 c a
Cell volume: 2213.2
Cell parameters: 8.062; 16.422; 16.717; 90; 90; 90;  

COD ID: 4029421
CIF file Formula: - C29 H24 N O2 P -
Comments: Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. Beilstein journal of organic chemistry 10 (2014) 996-1005
Space group: P 1 21/c 1
Cell volume: 2350.8
Cell parameters: 9.9427; 16.894; 14.819; 90; 109.195; 90;  

COD ID: 4029422
CIF file Formula: - C22 H20 N O P -
Comments: Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. Beilstein journal of organic chemistry 10 (2014) 996-1005
Space group: P c c n
Cell volume: 3633.8
Cell parameters: 11.2497; 21.1287; 15.288; 90; 90; 90;  

COD ID: 4029423
CIF file Formula: - C22 H17 O3 P -
Comments: Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. Beilstein journal of organic chemistry 10 (2014) 996-1005
Space group: P -1
Cell volume: 892
Cell parameters: 9.744; 9.9918; 10.2864; 84.229; 76.556; 66.323;  

COD ID: 4029424
CIF file Formula: - C11 H9 Br O2 -
Comments: Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. Beilstein journal of organic chemistry 10 (2014) 996-1005
Space group: P -1
Cell volume: 501.8
Cell parameters: 7.9413; 7.9674; 9.746; 66.05; 79.379; 62.93;  

COD ID: 4029596
CIF file Formula: - C31 H47 N O4 Si -
Comments: Ries, Oliver; Büschleb, Martin; Granitzka, Markus; Stalke, Dietmar; Ducho, Christian Amino acid motifs in natural products: synthesis of O-acylated derivatives of (2S,3S)-3-hydroxyleucine. Beilstein journal of organic chemistry 10 (2014) 1135-1142
Space group: P 21 21 21
Cell volume: 3104.5
Cell parameters: 11.7538; 11.8065; 22.371; 90; 90; 90;  

COD ID: 4029597
CIF file Formula: - C13 H14 F N O6 -
Comments: Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester. Beilstein journal of organic chemistry 10 (2014) 1213-1219
Space group: P -1
Cell volume: 681
Cell parameters: 7.6353; 8.0212; 12.559; 88.846; 76.201; 66.218;  

COD ID: 4029598
CIF file Formula: - C9 H8 F N O4 -
Comments: Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester. Beilstein journal of organic chemistry 10 (2014) 1213-1219
Space group: P n a 21
Cell volume: 934.4
Cell parameters: 7.2946; 16.473; 7.7761; 90; 90; 90;  

COD ID: 4029599
CIF file Formula: - C6 H5 F N2 O2 -
Comments: Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester. Beilstein journal of organic chemistry 10 (2014) 1213-1219
Space group: P 1 21/c 1
Cell volume: 623.18
Cell parameters: 5.6568; 15.4823; 7.1654; 90; 96.767; 90;  

COD ID: 4029688
CIF file Formula: - C38 H27 Au Cl P -
Comments: Sun, Yin-Wei; Xu, Qin; Shi, Min Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses. Beilstein journal of organic chemistry 9 (2013) 2224-2232
Space group: P 1 21 1
Cell volume: 1525.9
Cell parameters: 10.1476; 15.7426; 10.5615; 90; 115.257; 90;  

COD ID: 4029689
CIF file Formula: - C32 H23 Au Cl O P -
Comments: Sun, Yin-Wei; Xu, Qin; Shi, Min Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses. Beilstein journal of organic chemistry 9 (2013) 2224-2232
Space group: P 21 21 21
Cell volume: 2680.4
Cell parameters: 9.0411; 13.4833; 21.9878; 90; 90; 90;  

COD ID: 4029690
CIF file Formula: - C36 H22 Au F6 I N2 -
Comments: Sun, Yin-Wei; Xu, Qin; Shi, Min Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses. Beilstein journal of organic chemistry 9 (2013) 2224-2232
Space group: P 21 21 21
Cell volume: 3273.6
Cell parameters: 7.6103; 12.6408; 34.029; 90; 90; 90;  

COD ID: 4029691
CIF file Formula: - C36 H22 Au F6 I N2 -
Comments: Sun, Yin-Wei; Xu, Qin; Shi, Min Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses. Beilstein journal of organic chemistry 9 (2013) 2224-2232
Space group: P 21 21 21
Cell volume: 6490.2
Cell parameters: 9.6909; 18.5814; 36.0427; 90; 90; 90;  

COD ID: 4029692
CIF file Formula: - C26 H16 -
Comments: Sun, Yin-Wei; Xu, Qin; Shi, Min Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses. Beilstein journal of organic chemistry 9 (2013) 2224-2232
Space group: P 1 21/n 1
Cell volume: 1646.9
Cell parameters: 5.8492; 13.351; 21.102; 90; 91.971; 90;  

COD ID: 4029693
CIF file Formula: - C15 H21 N O2 -
Comments: Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates. Beilstein journal of organic chemistry 9 (2013) 628-632
Space group: P 1 21 1
Cell volume: 1444.8
Cell parameters: 7.626; 25.042; 8.473; 90; 116.762; 90;  

COD ID: 4029694
CIF file Formula: - C21 H27 Cl N2 O2 -
Comments: Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates. Beilstein journal of organic chemistry 9 (2013) 628-632
Space group: P b c n
Cell volume: 4076.5
Cell parameters: 18.293; 22.343; 9.9739; 90; 90; 90;  

COD ID: 4029695
CIF file Formula: - C10 H6 F3 N3 O3 -
Comments: Kurpet, Marta K.; Dąbrowska, Aleksandra; Jarosz, Małgorzata M; Kajewska-Kania, Katarzyna; Kuźnik, Nikodem; Suwiński, Jerzy W Coupling of C-nitro-NH-azoles with arylboronic acids. A route to N-aryl-C-nitroazoles. Beilstein journal of organic chemistry 9 (2013) 1517-1525
Space group: P 1 21 1
Cell volume: 1095
Cell parameters: 4.2681; 10.435; 24.586; 90; 90.2; 90;  

COD ID: 4029696
CIF file

HKL data

Formula: - C26.5 H36.5 N O8.25 -
Comments: Munro, Thomas A.; Xu, Wei; Ho, Douglas M.; Liu-Chen, Lee-Yuan; Cohen, Bruce M. Studies toward bivalent κ opioids derived from salvinorin A: heteromethylation of the furan ring reduces affinity. Beilstein journal of organic chemistry 9 (2013) 2916-2924
Space group: P 1 21 1
Cell volume: 1332.1
Cell parameters: 10.9397; 10.1557; 12.7466; 90; 109.839; 90;  

COD ID: 4029697
CIF file Formula: - C46 H56 N6 O4 Pd -
Comments: Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies. Beilstein journal of organic chemistry 9 (2013) 698-704
Space group: P 1 21/n 1
Cell volume: 2188
Cell parameters: 13.426; 10.1901; 16.699; 90; 106.72; 90;  

COD ID: 4029698
CIF file Formula: - C46 H56 Cl2 N8 Pd -
Comments: Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies. Beilstein journal of organic chemistry 9 (2013) 698-704
Space group: I 41/a c d :2
Cell volume: 9355.8
Cell parameters: 14.7337; 14.7337; 43.098; 90; 90; 90;  

COD ID: 4029699
CIF file Formula: - C27 H22 N2 O S -
Comments: Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach. Beilstein journal of organic chemistry 9 (2013) 809-817
Space group: P 1 21/c 1
Cell volume: 2077.6
Cell parameters: 10.1246; 9.0703; 22.641; 90; 92.224; 90;  

COD ID: 4029700
CIF file Formula: - C42 H38 N4 O3 S3 -
Comments: Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach. Beilstein journal of organic chemistry 9 (2013) 809-817
Space group: P 1 21/c 1
Cell volume: 3788.5
Cell parameters: 19.5001; 8.4923; 22.8927; 90; 92.088; 90;  

COD ID: 4029701
CIF file Formula: - C28 H46 Cl2 N6 O2 Pd -
Comments: Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications. Beilstein journal of organic chemistry 9 (2013) 1455-1462
Space group: P 1 21/c 1
Cell volume: 1566.67
Cell parameters: 11.342; 18.0868; 7.672; 90; 95.47; 90;  

COD ID: 4029702
CIF file Formula: - C28 H42 Cl2 N6 O4 Pd -
Comments: Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications. Beilstein journal of organic chemistry 9 (2013) 1455-1462
Space group: P 1 21/n 1
Cell volume: 1631.86
Cell parameters: 11.2008; 13.5909; 11.5265; 90; 111.563; 90;  

COD ID: 4029703
CIF file Formula: - C26 H38 Cl2 F2 I2 N6 Pd -
Comments: Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications. Beilstein journal of organic chemistry 9 (2013) 1455-1462
Space group: P 1 21/c 1
Cell volume: 5091.8
Cell parameters: 24.09; 11.4512; 20.3122; 90; 114.671; 90;  

COD ID: 4029704
CIF file Formula: - C14 H23 N3 O -
Comments: Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications. Beilstein journal of organic chemistry 9 (2013) 1455-1462
Space group: C 1 c 1
Cell volume: 1500
Cell parameters: 12.9; 13.63; 8.531; 90; 90.176; 90;  

COD ID: 4029705
CIF file Formula: - C41 H46 O S3 -
Comments: Zhong, Hao; Shi, Jianwu; Kang, Jianxun; Wang, Shaomin; Liu, Xinming; Wang, Hua Ring-opening reaction of 2,5-dioctyldithieno[2,3-b:3',2'-d]thiophene in the presence of aryllithium reagents. Beilstein journal of organic chemistry 9 (2013) 767-774
Space group: P -1
Cell volume: 1795.3
Cell parameters: 9.3945; 11.3837; 18.54; 83.241; 79.382; 67.287;  

COD ID: 4029706
CIF file Formula: - C14 H14 N4 -
Comments: Sell, Hanno; Näther, Christian; Herges, Rainer Amino-substituted diazocines as pincer-type photochromic switches. Beilstein journal of organic chemistry 9 (2013) 1-7
Space group: C 1 2/c 1
Cell volume: 2345.4
Cell parameters: 25.9277; 7.9561; 13.1658; 90; 120.28; 90;  

COD ID: 4029707
CIF file Formula: - C16 H20 N4 O2 -
Comments: Sell, Hanno; Näther, Christian; Herges, Rainer Amino-substituted diazocines as pincer-type photochromic switches. Beilstein journal of organic chemistry 9 (2013) 1-7
Space group: C 1 m 1
Cell volume: 880.7
Cell parameters: 5.1513; 25.835; 6.7094; 90; 99.501; 90;  

COD ID: 4029708
CIF file Formula: - C25 H27 Br N2 O7 -
Comments: Peng, Jiahuan; Du, Da-Ming Catalytic asymmetric tandem Friedel-Crafts alkylation/Michael addition reaction for the synthesis of highly functionalized chromans. Beilstein journal of organic chemistry 9 (2013) 1210-1216
Space group: P 1 21 1
Cell volume: 2449.1
Cell parameters: 8.604; 29.351; 9.698; 90; 90.108; 90;  

COD ID: 4029709
CIF file Formula: - C30 H45 N O4 S Si3 -
Comments: Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu; Kamimura, Akio Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction. Beilstein journal of organic chemistry 9 (2013) 1326-1332
Space group: P 21 21 21
Cell volume: 3408
Cell parameters: 6.471; 12.191; 43.2; 90; 90; 90;  

COD ID: 4029710
CIF file Formula: - C18 H18 F5 N O3 S -
Comments: Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T. Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines. Beilstein journal of organic chemistry 9 (2013) 2675-2680
Space group: P 1 21/c 1
Cell volume: 1754.1
Cell parameters: 5.958; 14.455; 20.381; 90; 92.069; 90;  

COD ID: 4029711
CIF file Formula: - C20 H22 F5 N O3 S -
Comments: Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T. Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines. Beilstein journal of organic chemistry 9 (2013) 2675-2680
Space group: P -1
Cell volume: 995.6
Cell parameters: 6.809; 10.145; 14.616; 93.168; 95.116; 97.126;  

COD ID: 4029712
CIF file Formula: - C13 H12 Br2 N2 O3 -
Comments: Gonsior, Nina; Mohr, Fabian; Ritter, Helmut Synthesis of mesomeric betaine compounds with imidazolium-enolate structure. Beilstein journal of organic chemistry 8 (2012) 390-397
Space group: P 1 21/c 1
Cell volume: 1368.24
Cell parameters: 15.0119; 3.99067; 22.8802; 90; 93.428; 90;  

COD ID: 4029713
CIF file Formula: - C25 H26 N2 O2 -
Comments: Sun, Jing; Gao, Hong; Wu, Qun; Yan, Chao-Guo Facile synthesis of functionalized tetrahydroquinolines via domino Povarov reactions of arylamines, methyl propiolate and aromatic aldehydes. Beilstein journal of organic chemistry 8 (2012) 1839-1843
Space group: P n a 21
Cell volume: 2092.6
Cell parameters: 22.587; 5.7481; 16.118; 90; 90; 90;  

COD ID: 4029714
CIF file Formula: - C26 H26 Fe N6 -
Comments: White, Nicholas G.; Beer, Paul D. A ferrocene redox-active triazolium macrocycle that binds and senses chloride. Beilstein journal of organic chemistry 8 (2012) 246-252
Space group: P 1 21/c 1
Cell volume: 4512.27
Cell parameters: 11.7117; 11.9571; 32.2561; 90; 92.6441; 90;  

COD ID: 4029715
CIF file Formula: - C52 H52 Fe2 N12 -
Comments: White, Nicholas G.; Beer, Paul D. A ferrocene redox-active triazolium macrocycle that binds and senses chloride. Beilstein journal of organic chemistry 8 (2012) 246-252
Space group: P 1 21/c 1
Cell volume: 2273.9
Cell parameters: 21.1393; 11.1627; 9.8316; 90; 101.439; 90;  

COD ID: 4029716
CIF file Formula: - C27 H21 Au I N3 O -
Comments: Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2). Beilstein journal of organic chemistry 8 (2012) 726-731
Space group: P 1 21 1
Cell volume: 2423.9
Cell parameters: 10.5893; 19.1221; 12.1578; 90; 100.076; 90;  

COD ID: 4029717
CIF file Formula: - C31 H36 Cl N3 O2 S -
Comments: Callebaut, Gert; Mangelinckx, Sven; Van der Veken, Pieter; Törnroos, Karl W; Augustyns, Koen; De Kimpe, Norbert Asymmetric synthesis of γ-chloro-α,β-diamino- and β,γ-aziridino-α-aminoacylpyrrolidines and -piperidines via stereoselective Mannich-type additions of N-(diphenylmethylene)glycinamides across α-chloro-N-sulfinylimines. Beilstein journal of organic chemistry 8 (2012) 2124-2131
Space group: P 1 21 1
Cell volume: 1481.09
Cell parameters: 10.4511; 9.1426; 16.1139; 90; 105.858; 90;  

COD ID: 4029718
CIF file Formula: - C23 H23 Cl Fe N2 O2 -
Comments: Takebayashi, Satoshi; Shizuno, Tsubasa; Otani, Takashi; Shibata, Takanori Rh(III)-catalyzed directed C-H bond amidation of ferrocenes with isocyanates. Beilstein journal of organic chemistry 8 (2012) 1844-1848
Space group: P 21 21 21
Cell volume: 2048.7
Cell parameters: 9.7263; 12.2692; 17.1677; 90; 90; 90;  

COD ID: 4029719
CIF file Formula: - C16 H14 Br N O3 -
Comments: Deng, Hong-Ping; Wang, De; Wei, Yin; Shi, Min Chiral multifunctional thiourea-phosphine catalyzed asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates with maleimides. Beilstein journal of organic chemistry 8 (2012) 1098-1104
Space group: P 21 21 21
Cell volume: 1502.3
Cell parameters: 9.528; 9.6271; 16.3779; 90; 90; 90;  

COD ID: 4029720
CIF file Formula: - C89.5 H89 Cl2 N2 Pd -
Comments: Martin, Anthony R.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P. Extending the utility of [Pd(NHC)(cinnamyl)Cl] precatalysts: Direct arylation of heterocycles. Beilstein journal of organic chemistry 8 (2012) 1637-1643
Space group: P -1
Cell volume: 4141.1
Cell parameters: 13.8017; 17.0279; 18.9988; 89.971; 80.984; 70.15;  

COD ID: 4029721
CIF file Formula: - C56 H21 N13 -
Comments: Avellaneda, Antonio; Hollis, Courtney A.; He, Xin; Sumby, Christopher J. Fluorescent hexaaryl- and hexa-heteroaryl[3]radialenes: Synthesis, structures, and properties. Beilstein journal of organic chemistry 8 (2012) 71-80
Space group: P 1 21/c 1
Cell volume: 4359.3
Cell parameters: 13.7345; 12.6611; 25.128; 90; 93.942; 90;  

COD ID: 4029722
CIF file Formula: - C23 H19 N O -
Comments: Lu, Nianhong; Wang, Lihong; Li, Zhanshan; Zhang, Wei A concise synthesis of 3-(1-alkenyl)isoindolin-1-ones and 5-(1-alkenyl)pyrrol-2-ones by the intermolecular coupling reactions of N-acyliminium ions with unactivated olefins. Beilstein journal of organic chemistry 8 (2012) 192-200
Space group: C 1 c 1
Cell volume: 7313
Cell parameters: 17.373; 17.241; 24.421; 90; 91.219; 90;  

COD ID: 4029723
CIF file Formula: - C22 H38 Li N O4 -
Comments: Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna On the control of secondary carbanion structure utilising ligand effects during directed metallation. Beilstein journal of organic chemistry 8 (2012) 50-60
Space group: P 1 21/n 1
Cell volume: 2350.8
Cell parameters: 7.8821; 18.975; 15.737; 90; 92.84; 90;  

COD ID: 4029724
CIF file Formula: - C25 H47 Li N4 O -
Comments: Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna On the control of secondary carbanion structure utilising ligand effects during directed metallation. Beilstein journal of organic chemistry 8 (2012) 50-60
Space group: P 1 21/n 1
Cell volume: 2746.24
Cell parameters: 9.6194; 29.1721; 10.0296; 90; 102.643; 90;  

COD ID: 4029725
CIF file Formula: - C19 H21 N3 O6 -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P n a 21
Cell volume: 1852.1
Cell parameters: 11.405; 14.943; 10.8676; 90; 90; 90;  

COD ID: 4029726
CIF file Formula: - C23 H23 N3 O4 -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P 1 n 1
Cell volume: 979.4
Cell parameters: 6.4732; 10.4674; 14.5108; 90; 95.05; 90;  

COD ID: 4029727
CIF file Formula: - C23 H23 N3 O4 -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P b c a
Cell volume: 3834.5
Cell parameters: 15.0761; 10.72; 23.726; 90; 90; 90;  

COD ID: 4029728
CIF file Formula: - C13 H16 N2 O6 -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P 1 21/n 1
Cell volume: 1367.92
Cell parameters: 6.6527; 14.3997; 14.2861; 90; 91.7612; 90;  

COD ID: 4029729
CIF file Formula: - C23 H26 N2 O -
Comments: Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J. Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles. Beilstein journal of organic chemistry 8 (2012) 567-578
Space group: P 1 21/c 1
Cell volume: 1838.46
Cell parameters: 20.7471; 7.3739; 12.0188; 90; 90.9587; 90;  

COD ID: 4029730
CIF file Formula: - C66 H70 F12 N8 O20 Ru4 S4 -
Comments: Shanmugaraju, Sankarasekaran; Samanta, Dipak; Mukherjee, Partha Sarathi Self-assembly of Ru(4) and Ru(8) assemblies by coordination using organometallic Ru(II)(2) precursors: Synthesis, characterization and properties. Beilstein journal of organic chemistry 8 (2012) 313-322
Space group: I 41/a :2
Cell volume: 38180
Cell parameters: 27.975; 27.975; 48.786; 90; 90; 90;  

COD ID: 4029731
CIF file Formula: - C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2 -
Comments: Whited, Matthew T. Metal-ligand multiple bonds as frustrated Lewis pairs for C-H functionalization. Beilstein journal of organic chemistry 8 (2012) 1554-1563
Space group: P 1 21/c 1
Cell volume: 3780.4
Cell parameters: 13.8087; 18.1428; 15.5037; 90; 103.271; 90;  

COD ID: 4029732
CIF file Formula: - C18 H22 O2 Si -
Comments: Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis. Beilstein journal of organic chemistry 7 (2011) 1315-1322
Space group: P 21 21 21
Cell volume: 1642.8
Cell parameters: 6.8215; 13.434; 17.9267; 90; 90; 90;  

COD ID: 4029733
CIF file Formula: - C18 H22 O2 Si2 -
Comments: Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis. Beilstein journal of organic chemistry 7 (2011) 1315-1322
Space group: P 1 21 1
Cell volume: 2818
Cell parameters: 8.855; 28.605; 11.19; 90; 96.194; 90;  

COD ID: 4029734
CIF file Formula: - C28 H47 Cl5 P Ru2 -
Comments: Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium-arene complexes. Beilstein journal of organic chemistry 6 (2010) 1167-1173
Space group: P 1 21/c 1
Cell volume: 3316
Cell parameters: 19.6672; 16.8432; 10.2146; 90; 101.481; 90;  

COD ID: 4029735
CIF file Formula: - C54 H36 N8 O13 Zn -
Comments: Lipstman, Sophia; Goldberg, Israel Versatile supramolecular reactivity of zinc-tetra(4-pyridyl)porphyrin in crystalline solids: Polymeric grids with zinc dichloride and hydrogen-bonded networks with mellitic acid. Beilstein journal of organic chemistry 5 (2009) 77
Space group: P -1
Cell volume: 3227.13
Cell parameters: 11.866; 13.8803; 20.4843; 78.2372; 78.1856; 84.2881;  

COD ID: 4029736
CIF file Formula: - C20 H23 N4 O0.5 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1769.48
Cell parameters: 5.7147; 13.9252; 22.2681; 90; 93.0935; 90;  

COD ID: 4029737
CIF file Formula: - C16 H11 N O2 S -
Comments: Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry 3(1) (2007) 10
Space group: P 21 21 21
Cell volume: 1335.8
Cell parameters: 5.3485; 7.4424; 33.559; 90; 90; 90;  

COD ID: 4029738
CIF file Formula: - C28 H52 N6 Na2 -
Comments: Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D. Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation. Beilstein journal of organic chemistry 7 (2011) 1234-1248
Space group: P 1 21/c 1
Cell volume: 1599.3
Cell parameters: 8.806; 17.5089; 11.1635; 90; 111.693; 90;  

COD ID: 4029739
CIF file Formula: - C82 H164 N13 Na3 Zn4 -
Comments: Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D. Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation. Beilstein journal of organic chemistry 7 (2011) 1234-1248
Space group: P -1
Cell volume: 4850.1
Cell parameters: 9.3229; 20.0052; 26.2813; 86.732; 82.721; 87.247;  

COD ID: 4029740
CIF file Formula: - C27 H53 N4 Na Zn -
Comments: Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D. Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation. Beilstein journal of organic chemistry 7 (2011) 1234-1248
Space group: P b c a
Cell volume: 6006.5
Cell parameters: 16.1371; 17.2078; 21.6306; 90; 90; 90;  

COD ID: 4029741
CIF file Formula: - C5 H10 N Na O4 S -
Comments: Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A. Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series. Beilstein journal of organic chemistry 6 (2010) 31
Space group: P 1 21/c 1
Cell volume: 817.14
Cell parameters: 11.0884; 7.3529; 10.3794; 90; 105.071; 90;  

COD ID: 4029742
CIF file Formula: - C46 H30 Cl14 N8 Zn2 -
Comments: Lipstman, Sophia; Goldberg, Israel Versatile supramolecular reactivity of zinc-tetra(4-pyridyl)porphyrin in crystalline solids: Polymeric grids with zinc dichloride and hydrogen-bonded networks with mellitic acid. Beilstein journal of organic chemistry 5 (2009) 77
Space group: P 1 21/c 1
Cell volume: 5252.51
Cell parameters: 19.1157; 12.9275; 21.8495; 90; 103.396; 90;  

COD ID: 4029743
CIF file Formula: - C10 H18 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 4834.32
Cell parameters: 15.6729; 14.6136; 21.7183; 90; 103.625; 90;  

COD ID: 4029744
CIF file Formula: - C16 H12 N2 O2 -
Comments: Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry 3(1) (2007) 10
Space group: P 21 21 21
Cell volume: 1261.1
Cell parameters: 4.3029; 12.249; 23.927; 90; 90; 90;  

COD ID: 4029745
CIF file Formula: - C14 H10 Br4 O2 -
Comments: Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones. Beilstein journal of organic chemistry 7 (2011) 1036-1045
Space group: P 1 21/c 1
Cell volume: 1447.92
Cell parameters: 7.9547; 11.9678; 15.5015; 90; 101.144; 90;  

COD ID: 4029746
CIF file Formula: - C7 H16 N2 O4 S -
Comments: Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A. Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series. Beilstein journal of organic chemistry 6 (2010) 31
Space group: P -1
Cell volume: 501.11
Cell parameters: 5.7353; 8.6076; 10.9633; 75.05; 74.959; 79.491;  

COD ID: 4029747
CIF file Formula: - C15 H27 N O5 -
Comments: Grauer, Andreas A.; König, Burkhard Synthesis of new Calpha-tetrasubstituted alpha-amino acids. Beilstein journal of organic chemistry 5 (2009) 5
Space group: P n a 21
Cell volume: 1769.39
Cell parameters: 10.1882; 10.616; 16.3593; 90; 90; 90;  

COD ID: 4029748
CIF file Formula: - C21.5 H22 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1758.87
Cell parameters: 5.7467; 13.8294; 22.1701; 90; 93.377; 90;  

COD ID: 4029749
CIF file Formula: - C16 H11 N O3 -
Comments: Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry 3(1) (2007) 10
Space group: P -1
Cell volume: 628.52
Cell parameters: 3.8313; 12.5135; 14.2512; 112.212; 93.326; 93.864;  

COD ID: 4029750
CIF file Formula: - C16 H14 Br4 O2 -
Comments: Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones. Beilstein journal of organic chemistry 7 (2011) 1036-1045
Space group: P 1 21/c 1
Cell volume: 1716.38
Cell parameters: 12.8322; 13.232; 11.1619; 90; 115.092; 90;  

COD ID: 4029751
CIF file Formula: - C10.5 H3 Br2 Cl O2 S2 -
Comments: Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd Syntheses and properties of thienyl-substituted dithienophenazines. Beilstein journal of organic chemistry 6 (2010) 1180-1187
Space group: P 1 21/c 1
Cell volume: 2538.4
Cell parameters: 7.5928; 20.9792; 15.9792; 90; 94.236; 90;  

COD ID: 4029752
CIF file Formula: - C10 H4 O2 S2 -
Comments: Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd Syntheses and properties of thienyl-substituted dithienophenazines. Beilstein journal of organic chemistry 6 (2010) 1180-1187
Space group: P 1 21/c 1
Cell volume: 852.88
Cell parameters: 8.9233; 14.8008; 6.6258; 90; 102.935; 90;  

COD ID: 4029753
CIF file Formula: - C18 H10 S2 -
Comments: Wang, Zhihua; Zhu, Sheng; Shi, Jianwu; Wang, Hua The efficient synthesis of dibenzo[d,d']benzo[1,2-b:4,3-b']dithiophene and cyclopenta[1,2-b:4,3-b']bis(benzo[d]thiophen)-6-one. Beilstein journal of organic chemistry 5 (2009) 55
Space group: P 21 21 21
Cell volume: 1300
Cell parameters: 3.9971; 10.334; 31.473; 90; 90; 90;  

COD ID: 4029754
CIF file Formula: - C30 H26 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 4896.21
Cell parameters: 11.938; 16.4303; 25.0589; 90; 95.0346; 90;  

COD ID: 4029755
CIF file Formula: - C18 H24 N2 O -
Comments: Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry 3(1) (2007) 10
Space group: P -1
Cell volume: 789.7
Cell parameters: 5.4646; 11.742; 13.204; 69.478; 85.113; 85.709;  

COD ID: 4029756
CIF file Formula: - C24 H23 Au I N3 O3 -
Comments: Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis. Beilstein journal of organic chemistry 7 (2011) 555-564
Space group: P 1 21 1
Cell volume: 2326.7
Cell parameters: 9.2786; 25.5371; 10.1633; 90; 104.948; 90;  

COD ID: 4029757
CIF file Formula: - C30 H32 N2 O6 S4 -
Comments: Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C. Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors. Beilstein journal of organic chemistry 6 (2010) 50
Space group: P -1
Cell volume: 1570.77
Cell parameters: 9.1096; 13.0878; 14.0139; 93.832; 101.26; 104.981;  

COD ID: 4029758
CIF file Formula: - C29 H35 N5 O7 -
Comments: Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties. Beilstein journal of organic chemistry 5 (2009) 26
Space group: P 1 21/c 1
Cell volume: 2844.63
Cell parameters: 7.3616; 32.8092; 12.0824; 90; 102.896; 90;  

COD ID: 4029759
CIF file Formula: - C24 H14 N2 O3 -
Comments: Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry 3(1) (2007) 10
Space group: P 1 21/c 1
Cell volume: 1962.49
Cell parameters: 11.7463; 9.5792; 17.6727; 90; 99.284; 90;  

COD ID: 4029760
CIF file Formula: - C27 H28 I N3 O3 Pd -
Comments: Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis. Beilstein journal of organic chemistry 7 (2011) 555-564
Space group: P 1 21/c 1
Cell volume: 2764.6
Cell parameters: 9.8872; 16.8643; 16.8744; 90; 100.713; 90;  

COD ID: 4029761
CIF file Formula: - C31 H37 N3 O7 S5 -
Comments: Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C. Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors. Beilstein journal of organic chemistry 6 (2010) 50
Space group: P -1
Cell volume: 1681.81
Cell parameters: 10.6274; 10.8445; 14.7918; 86.69; 87.617; 81.397;  

COD ID: 4029762
CIF file Formula: - C29 H37 N5 O7 S -
Comments: Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties. Beilstein journal of organic chemistry 5 (2009) 26
Space group: P -1
Cell volume: 1506.06
Cell parameters: 10.6278; 11.8039; 12.8185; 84.158; 81.21; 71.668;  

COD ID: 4029763
CIF file Formula: - C13 H24 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 709.83
Cell parameters: 8.5317; 8.7993; 11.5447; 81.8531; 68.8269; 61.5111;  

COD ID: 4029764
CIF file

HKL data

Formula: - C21 H26 O7 -
Comments: Munro, Thomas A.; Duncan, Katharine K.; Staples, Richard J.; Xu, Wei; Liu-Chen, Lee-Yuan; Béguin, Cécile; Carlezon, Jr, William A; Cohen, Bruce M. 8-epi-Salvinorin B: crystal structure and affinity at the kappa opioid receptor. Beilstein journal of organic chemistry 3(1) (2007) 1
Space group: P 1 21 1
Cell volume: 1900
Cell parameters: 10.5103; 7.5216; 24.079; 90; 93.496; 90;  

COD ID: 4029765
CIF file Formula: - C20 H19 N O3 -
Comments: Sow, Boubacar; Bellavance, Gabriel; Barabé, Francis; Barriault, Louis One-pot Diels-Alder cycloaddition/gold(I)-catalyzed 6-endo-dig cyclization for the synthesis of the complex bicyclo[3.3.1]alkenone framework. Beilstein journal of organic chemistry 7 (2011) 1007-1013
Space group: P 1 21/n 1
Cell volume: 3315.94
Cell parameters: 22.9943; 6.7284; 23.2627; 90; 112.879; 90;  

COD ID: 4029766
CIF file Formula: - C14 H16 F12 O4 -
Comments: Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry 6 (2010) 46
Space group: P 1 2/n 1
Cell volume: 901.2
Cell parameters: 10.243; 5.633; 15.676; 90; 94.912; 90;  

COD ID: 4029767
CIF file Formula: - C16 H20 F12 O4 -
Comments: Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry 6 (2010) 46
Space group: P -1
Cell volume: 503.6
Cell parameters: 5.564; 9.647; 9.926; 100.015; 105.203; 92.977;  

COD ID: 4029768
CIF file Formula: - C9 H12 F6 N0 O2 -
Comments: Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry 6 (2010) 46
Space group: P 43 21 2
Cell volume: 2343.7
Cell parameters: 10.1499; 10.1499; 22.75; 90; 90; 90;  

COD ID: 4029769
CIF file Formula: - C10 H6 F12 O S2 -
Comments: Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry 6 (2010) 46
Space group: C c c a :2
Cell volume: 5771
Cell parameters: 21.271; 25.685; 10.563; 90; 90; 90;  

COD ID: 4029770
CIF file Formula: - C29 H39 Cl N8 O6 -
Comments: Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties. Beilstein journal of organic chemistry 5 (2009) 26
Space group: P 1 21/n 1
Cell volume: 2924.84
Cell parameters: 12.4965; 13.0048; 18.7848; 90; 106.648; 90;  

COD ID: 4029771
CIF file Formula: - C20 H22 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 849.64
Cell parameters: 9.3287; 9.479; 10.4921; 87.4755; 70.5173; 76.4271;  

COD ID: 4029772
CIF file Formula: - C7 H10 N8 O2 -
Comments: Thomas, Reji; Kulkarni, G. U. A hydrogen-bonded channel structure formed by a complex of uracil and melamine. Beilstein journal of organic chemistry 3(1) (2007) 17
Space group: C 1 2/c 1
Cell volume: 2057.5
Cell parameters: 14.3618; 7.5472; 18.9922; 90; 91.838; 90;  

COD ID: 4029773
CIF file Formula: - C63 H97 N8 O6 P S -
Comments: Makuc, Damjan; Hiscock, Jennifer R.; Light, Mark E.; Gale, Philip A.; Plavec, Janez NMR studies of anion-induced conformational changes in diindolylureas and diindolylthioureas. Beilstein journal of organic chemistry 7 (2011) 1205-1214
Space group: P -1
Cell volume: 3115.09
Cell parameters: 11.3537; 15.5301; 18.6701; 81.989; 76.082; 78.338;  

COD ID: 4029774
CIF file Formula: - C19 H20 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/c 1
Cell volume: 5179.33
Cell parameters: 17.0057; 8.9486; 34.3882; 90; 98.2202; 90;  

COD ID: 4029775
CIF file Formula: - C24 H31 N O4 -
Comments: Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid. Beilstein journal of organic chemistry 6 (2010) 848-858
Space group: P 1 21 1
Cell volume: 1097.24
Cell parameters: 6.6454; 17.9624; 9.3062; 90; 98.981; 90;  

COD ID: 4029776
CIF file Formula: - C17 H28 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: C 1 2/c 1
Cell volume: 3364.33
Cell parameters: 33.1028; 6.1643; 20.2723; 90; 125.581; 90;  

COD ID: 4029777
CIF file Formula: - C17 H14 O -
Comments: Cadman, Christopher J.; Croft, Anna K. Anion-π interactions influence pK(a) values. Beilstein journal of organic chemistry 7 (2011) 320-328
Space group: C 1 2/c 1
Cell volume: 2500.2
Cell parameters: 13.3991; 8.2341; 22.8014; 90; 96.356; 90;  

COD ID: 4029778
CIF file Formula: - C18 H33 N O4 -
Comments: Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid. Beilstein journal of organic chemistry 6 (2010) 848-858
Space group: P 21 21 21
Cell volume: 2067.3
Cell parameters: 8.6977; 12.5877; 18.8825; 90; 90; 90;  

COD ID: 4029779
CIF file Formula: - C21 H24 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1848.17
Cell parameters: 9.8002; 7.2445; 26.1183; 90; 94.6725; 90;  

COD ID: 4029780
CIF file Formula: - C26 H20 O8 -
Comments: Arimura, Junya; Mizuta, Tsutomu; Hiraga, Yoshikazu; Abe, Manabu Formation of macrocyclic lactones in the Paternò-Büchi dimerization reaction. Beilstein journal of organic chemistry 7 (2011) 265-269
Space group: P -1
Cell volume: 1083.15
Cell parameters: 9.2883; 11.2794; 11.673; 62.356; 89.008; 89.893;  

COD ID: 4029781
CIF file Formula: - C34 H62 N2 O4 -
Comments: Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid. Beilstein journal of organic chemistry 6 (2010) 848-858
Space group: P 1 21 1
Cell volume: 3501.8
Cell parameters: 12.2424; 17.278; 16.726; 90; 98.199; 90;  

COD ID: 4029782
CIF file Formula: - C22 H20 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 886.24
Cell parameters: 5.7578; 10.3819; 15.1645; 86.213; 79.332; 84.967;  

COD ID: 4029783
CIF file Formula: - C25 H33 B F3 N -
Comments: Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P. CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃. Beilstein journal of organic chemistry 6 (2010) 709-712
Space group: P b c 21
Cell volume: 2273.1
Cell parameters: 8.3106; 16.12; 16.9678; 90; 90; 90;  

COD ID: 4029784
CIF file Formula: - C23 H22 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1893.11
Cell parameters: 7.2282; 14.5797; 18.0219; 90; 94.6029; 90;  

COD ID: 4029785
CIF file Formula: - C23 H35 B F3 N -
Comments: Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P. CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃. Beilstein journal of organic chemistry 6 (2010) 709-712
Space group: P 1 21/m 1
Cell volume: 1104.1
Cell parameters: 8.0309; 14.995; 9.5461; 90; 106.162; 90;  

COD ID: 4029786
CIF file Formula: - C19 H32 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/c 1
Cell volume: 3775.91
Cell parameters: 11.5364; 10.5199; 31.4132; 90; 97.9299; 90;  

COD ID: 4029787
CIF file Formula: - C56 H48 N4 O12 -
Comments: Castilla, Ana Maria; Morgan Conn, M.; Ballester, Pablo Synthesis and binding studies of two new macrocyclic receptors for the stereoselective recognition of dipeptides. Beilstein journal of organic chemistry 6 (2010) 5
Space group: C 1 2 1
Cell volume: 4896.5
Cell parameters: 29.889; 5.2454; 31.439; 90; 96.584; 90;  

COD ID: 4029788
CIF file Formula: - C20 H22 N4 O -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1782.4
Cell parameters: 5.717; 13.99; 22.318; 90; 93.12; 90;  

COD ID: 4029789
CIF file Formula: - C6 H7 Cl I N -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P 21 a b
Cell volume: 875.89
Cell parameters: 8.28; 9.8354; 10.7554; 90; 90; 90;  

COD ID: 4029790
CIF file Formula: - C6 H7 Br I N -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P -1
Cell volume: 1289.45
Cell parameters: 10.065; 10.9183; 12.6269; 100.866; 106.743; 95.177;  

COD ID: 4029791
CIF file Formula: - C6 H9 I N O4 P -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P c a b
Cell volume: 1985.26
Cell parameters: 7.8119; 9.8242; 25.8681; 90; 90; 90;  

COD ID: 4029792
CIF file Formula: - C6 H9 Cl N O4 P -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P c a b
Cell volume: 1900.27
Cell parameters: 7.8654; 9.6441; 25.0515; 90; 90; 90;  

COD ID: 4029793
CIF file Formula: - C13 H15 Cl I N O -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P 1 21/n 1
Cell volume: 2816.98
Cell parameters: 8.1841; 16.9194; 20.4094; 90; 94.603; 90;  

COD ID: 4029794
CIF file Formula: - C5.5 H6.5 Cl I N O0.25 -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P -1
Cell volume: 1582.66
Cell parameters: 8.1913; 11.4208; 17.9429; 80.027; 78.217; 76.302;  

COD ID: 4029795
CIF file Formula: - C13 H9 I N2 O6 -
Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4
Space group: P -1
Cell volume: 680.09
Cell parameters: 8.1247; 8.4128; 11.7526; 87.9511; 73.0323; 62.9872;  

COD ID: 4029796
CIF file Formula: - C19 H32 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1828.9
Cell parameters: 9.3059; 12.1138; 16.5226; 90; 100.91; 90;  

COD ID: 4029797
CIF file Formula: - C18 H30 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/c 1
Cell volume: 1746.46
Cell parameters: 14.3412; 10.9327; 11.1408; 90; 91.0293; 90;  

COD ID: 4029798
CIF file Formula: - C21 H30 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 960.51
Cell parameters: 9.3343; 9.6107; 12.4635; 70.786; 74.417; 67.211;  

COD ID: 4029799
CIF file Formula: - C22 H26 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 1979.23
Cell parameters: 10.7318; 11.9553; 17.3861; 106.348; 91.1499; 111.053;  

COD ID: 4029800
CIF file Formula: - C20 H28 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 892.2
Cell parameters: 8.9442; 9.2587; 12.0545; 74.61; 82.151; 68.098;  

COD ID: 4029801
CIF file Formula: - C32 H30 N6 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P -1
Cell volume: 1303.04
Cell parameters: 10.2471; 10.8387; 13.1028; 73.0483; 69.9698; 88.6849;  

COD ID: 4029802
CIF file Formula: - C16 H26 N4 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P 1 21/n 1
Cell volume: 1537.32
Cell parameters: 5.5435; 27.744; 10.0705; 90; 96.989; 90;  

COD ID: 4029803
CIF file Formula: - C18 H29 N5 O2 -
Comments: Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines. Beilstein journal of organic chemistry 4 (2008) 23
Space group: P n a 21
Cell volume: 4118.4
Cell parameters: 18.066; 10.234; 22.275; 90; 90; 90;  

COD ID: 4029804
CIF file Formula: - C30 H27 Cl2 N O3 -
Comments: Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones. Beilstein journal of organic chemistry 4 (2008) 28
Space group: P 32
Cell volume: 5964.9
Cell parameters: 21.483; 21.483; 14.924; 90; 90; 120;  

COD ID: 4029805
CIF file Formula: - C30 H29 N O3 -
Comments: Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones. Beilstein journal of organic chemistry 4 (2008) 28
Space group: P 21 21 21
Cell volume: 2422.7
Cell parameters: 11.2325; 13.594; 15.866; 90; 90; 90;  

COD ID: 4029806
CIF file Formula: - C74 H44 F68 I4 O4.5 -
Comments: Osipov, Maksim; Chu, Qianli; Geib, Steven J.; Curran, Dennis P.; Weber, Stephen G. Synthesis of deep-cavity fluorous calix[4]arenes as molecular recognition scaffolds. Beilstein journal of organic chemistry 4 (2008) 36
Space group: P -1
Cell volume: 9248.3
Cell parameters: 11.9956; 19.4176; 39.769; 90.915; 92.614; 91.654;  

COD ID: 4029830
CIF file Formula: - C14 H16 Cl2 O3 -
Comments: Ding, Haixin; Li, Wei; Ruan, Zhizhong; Yang, Ruchun; Mao, Zhijie; Xiao, Qiang; Wu, Jun Concise total synthesis of two marine natural nucleosides: trachycladines A and B. Beilstein journal of organic chemistry 10 (2014) 1681-1685
Space group: P 21 21 21
Cell volume: 1477.8
Cell parameters: 5.2508; 14.2668; 19.7267; 90; 90; 90;  

COD ID: 4029844
CIF file Formula: - C40 H34 N6 O4 -
Comments: Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes Macrocyclic bis(ureas) as ligands for anion complexation. Beilstein journal of organic chemistry 10 (2014) 1834-1839
Space group: P -1
Cell volume: 853.13
Cell parameters: 8.2597; 9.772; 11.0233; 95.851; 99.783; 100.761;  

COD ID: 4029845
CIF file Formula: - C38 H32 N4 O4 S2 -
Comments: Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes Macrocyclic bis(ureas) as ligands for anion complexation. Beilstein journal of organic chemistry 10 (2014) 1834-1839
Space group: P 1 21/c 1
Cell volume: 1645.1
Cell parameters: 8.2244; 17.995; 12.1198; 90; 113.483; 90;  

COD ID: 4029846
CIF file Formula: - C42 H40 Br N5 O2 -
Comments: Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes Macrocyclic bis(ureas) as ligands for anion complexation. Beilstein journal of organic chemistry 10 (2014) 1834-1839
Space group: P 1 21/c 1
Cell volume: 3731.8
Cell parameters: 12.7152; 17.5556; 20.5472; 90; 125.548; 90;  

COD ID: 4029847
CIF file Formula: - C15 H10 N2 O -
Comments: Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes Macrocyclic bis(ureas) as ligands for anion complexation. Beilstein journal of organic chemistry 10 (2014) 1834-1839
Space group: P 1 21/c 1
Cell volume: 1104.5
Cell parameters: 11.8302; 7.098; 13.47; 90; 102.437; 90;  

COD ID: 4029967
CIF file Formula: - C14 H12 F3 N O3 -
Comments: Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir (CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones. Beilstein journal of organic chemistry 10 (2014) 2270-2278
Space group: P -1
Cell volume: 1335.61
Cell parameters: 9.8661; 12.1391; 12.6797; 74.046; 77.445; 67.218;  

COD ID: 4029968
CIF file Formula: - C12 H14 Cl N O2 -
Comments: Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir (CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones. Beilstein journal of organic chemistry 10 (2014) 2270-2278
Space group: P 1 21/c 1
Cell volume: 1186.78
Cell parameters: 6.872; 22.4177; 7.7044; 90; 90.798; 90;  

COD ID: 4029969
CIF file Formula: - C18 H14 Br2 N2 -
Comments: Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir (CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones. Beilstein journal of organic chemistry 10 (2014) 2270-2278
Space group: P 1 21/c 1
Cell volume: 1577.51
Cell parameters: 4.7721; 11.6674; 28.3435; 90; 91.577; 90;  

COD ID: 4029970
CIF file Formula: - C21 H24 O2 -
Comments: Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir (CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones. Beilstein journal of organic chemistry 10 (2014) 2270-2278
Space group: P -1
Cell volume: 819.48
Cell parameters: 6.5776; 7.4148; 17.7488; 100.413; 92.503; 104.794;  

COD ID: 4029994
CIF file Formula: - C22 H17 F3 N2 O2 -
Comments: Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction. Beilstein journal of organic chemistry 10 (2014) 2286-2292
Space group: P -1
Cell volume: 951.49
Cell parameters: 7.4466; 11.1033; 12.5493; 74.933; 73.64; 78.131;  

COD ID: 4029995
CIF file Formula: - C18 H13 F3 I N2 O2 -
Comments: Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction. Beilstein journal of organic chemistry 10 (2014) 2286-2292
Space group: C 1 2/c 1
Cell volume: 3518
Cell parameters: 19.222; 13.042; 14.091; 90; 95.239; 90;  

COD ID: 4030315
CIF file Formula: - C18 H15 Br N2 O3 -
Comments: Singh, Radhey Mohan; Bharadwaj, Kishor Chandra; Tiwari, Dharmendra Kumar Morita-Baylis-Hillman reaction of acrylamide with isatin derivatives. Beilstein journal of organic chemistry 10 (2014) 2975-2980
Space group: P 1 21/c 1
Cell volume: 1771.3
Cell parameters: 13.5133; 13.5483; 9.6825; 90; 92.293; 90;  

COD ID: 4030342
CIF file Formula: - C20 H14 N4 S -
Comments: Samanta, Debabrata; Rana, Anup; Bats, Jan W.; Schmittel, Michael A one-pot multistep cyclization yielding thiadiazoloimidazole derivatives Beilstein Journal of Organic Chemistry 10 (2014) 2989
Space group: P 1 21/n 1
Cell volume: 1616.7
Cell parameters: 11.9769; 6.797; 19.8608; 90; 90.491; 90;  

COD ID: 4030436
CIF file Formula: - C19 H18 B F2 N3 O2 -
Comments: Yu, Mingfeng; Wong, Joseph K.-H.; Tang, Cyril; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J. Efficient deprotection of F-BODIPY derivatives: removal of BF2 using Brønsted acids. Beilstein journal of organic chemistry 11 (2015) 37-41
Space group: C 1 2/c 1
Cell volume: 6957.6
Cell parameters: 30.367; 11.8122; 19.5189; 90; 96.413; 90;  

COD ID: 4030514
CIF file Formula: - C19 H33 N2 O P -
Comments: Hersh, William H. Synthesis of dinucleoside acylphosphonites by phosphonodiamidite chemistry and investigation of phosphorus epimerization. Beilstein journal of organic chemistry 11 (2015) 184-191
Space group: P 1 21/c 1
Cell volume: 1955.87
Cell parameters: 15.8768; 9.2589; 14.0614; 90; 108.877; 90;  

COD ID: 4030944
CIF file Formula: - C10 H4 F3 N S6 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P 1 21 1
Cell volume: 702.72
Cell parameters: 5.0849; 10.9285; 12.7619; 90; 97.741; 90;  

COD ID: 4030945
CIF file Formula: - C11 H7 F3 O2 S6 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P -1
Cell volume: 778.2
Cell parameters: 5.1515; 11.998; 12.974; 103.96; 90.02; 90.45;  

COD ID: 4030946
CIF file Formula: - C12 H6 F6 O4 S4 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P 1 21/a 1
Cell volume: 1702.6
Cell parameters: 7.4209; 17.0659; 13.5707; 90; 97.834; 90;  

COD ID: 4030947
CIF file Formula: - C12 H6 F6 O4 S4 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P b a m
Cell volume: 1758.7
Cell parameters: 28; 8.7129; 7.2091; 90; 90; 90;  

COD ID: 4030948
CIF file Formula: - C15 H7 F3 N2 S6 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P 1 21/c 1
Cell volume: 1854.3
Cell parameters: 13.2146; 11.1448; 13.1662; 90; 106.997; 90;  

COD ID: 4030949
CIF file Formula: - C9 H5 Cl4 F3 Fe S6 -
Comments: Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc Trifluoromethyl-substituted tetrathiafulvalenes. Beilstein journal of organic chemistry 11 (2015) 647-658
Space group: P 21 21 21
Cell volume: 1863.9
Cell parameters: 5.9348; 14.4165; 21.785; 90; 90; 90;  

COD ID: 4030950
CIF file Formula: - C9 H10 O S3 -
Comments: Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel TTFs nonsymmetrically fused with alkylthiophenic moieties. Beilstein journal of organic chemistry 11 (2015) 628-637
Space group: P 21 21 21
Cell volume: 1056.07
Cell parameters: 9.4587; 9.6256; 11.5993; 90; 90; 90;  

COD ID: 4030951
CIF file Formula: - C18 H18 N2 S7 -
Comments: Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel TTFs nonsymmetrically fused with alkylthiophenic moieties. Beilstein journal of organic chemistry 11 (2015) 628-637
Space group: P -1
Cell volume: 2154.46
Cell parameters: 9.9526; 12.2499; 17.9352; 81.381; 85.234; 89.204;  

COD ID: 4030952
CIF file Formula: - C23 H12 Au N6 S11 -
Comments: Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel TTFs nonsymmetrically fused with alkylthiophenic moieties. Beilstein journal of organic chemistry 11 (2015) 628-637
Space group: P -1
Cell volume: 1512.47
Cell parameters: 7.253; 8.3877; 26.2705; 86.235; 86.176; 71.72;  

COD ID: 4031010
CIF file Formula: - C30 H20 Br4 Cu S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P b c n
Cell volume: 3616.7
Cell parameters: 21.0945; 13.8077; 12.4172; 90; 90; 90;  

COD ID: 4031011
CIF file Formula: - C34 H28 Br4 Cu S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: I 1 2/a 1
Cell volume: 3933
Cell parameters: 13.9096; 14.1046; 21.077; 90; 107.985; 90;  

COD ID: 4031012
CIF file Formula: - C76 H72 Br10 Cu3 O2 S16 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P -1
Cell volume: 2194.5
Cell parameters: 13.0614; 13.3435; 14.5787; 102.051; 92.764; 116.503;  

COD ID: 4031013
CIF file Formula: - C76 H72 Br10 Cu3 O2 S16 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P -1
Cell volume: 2253.37
Cell parameters: 13.1368; 13.4389; 14.8346; 101.664; 93.457; 116.863;  

COD ID: 4031014
CIF file Formula: - C34 H28 Br4 Cu O4 S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P c c n
Cell volume: 4121.2
Cell parameters: 12.9103; 19.5008; 16.3696; 90; 90; 90;  

COD ID: 4031015
CIF file Formula: - C34 H28 Br6 Cu2 O4 S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P -1
Cell volume: 1076.89
Cell parameters: 8.8766; 11.3774; 12.1805; 92.375; 105.574; 112.882;  

COD ID: 4031016
CIF file Formula: - C40 H28 Br2 Cu N O8 S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P -1
Cell volume: 1218.68
Cell parameters: 8.0605; 11.117; 13.7852; 89.253; 88.684; 80.707;  

COD ID: 4031017
CIF file Formula: - C42 H36 Br2 Cu O8 S8 -
Comments: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry 11 (2015) 850-859
Space group: P -1
Cell volume: 2379.7
Cell parameters: 12.8898; 14.8147; 14.8279; 107.327; 93.858; 115.35;  

COD ID: 4031020
CIF file Formula: - C17 H15 N O S6 -
Comments: Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions. Beilstein journal of organic chemistry 11 (2015) 860-868
Space group: P -1
Cell volume: 1858.9
Cell parameters: 10.761; 11.927; 16.09; 80.067; 84.081; 66.129;  

COD ID: 4031021
CIF file Formula: - C21 H23 N O S6 -
Comments: Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions. Beilstein journal of organic chemistry 11 (2015) 860-868
Space group: P -1
Cell volume: 2230.5
Cell parameters: 10.8196; 12.0793; 19.096; 72.509; 89.47; 70.382;  

COD ID: 4031022
CIF file Formula: - C20 H20 N2 O2 S6 -
Comments: Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions. Beilstein journal of organic chemistry 11 (2015) 860-868
Space group: P 1 21/c 1
Cell volume: 4473.3
Cell parameters: 10.9203; 11.8068; 34.711; 90; 91.759; 90;  

COD ID: 4031023
CIF file Formula: - C22 H26 N2 S6 -
Comments: Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions. Beilstein journal of organic chemistry 11 (2015) 860-868
Space group: P -1
Cell volume: 2339.99
Cell parameters: 11.5871; 12.1431; 18.897; 94.0239; 90.9921; 117.911;  

COD ID: 4031037
CIF file Formula: - C60 H78 S12 Si2 -
Comments: Jiang, Huixin; Mazzanti, Virginia; Parker, Christian R.; Broman, Søren Lindbæk; Wallberg, Jens Heide; Lušpai, Karol; Brincko, Adam; Kjaergaard, Henrik G.; Kadziola, Anders; Rapta, Peter; Hammerich, Ole; Nielsen, Mogens Brøndsted Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores. Beilstein journal of organic chemistry 11 (2015) 930-948
Space group: P -1
Cell volume: 3294.6
Cell parameters: 12.2093; 13.8951; 19.7678; 98.263; 96.719; 90.646;  

COD ID: 4031095
CIF file Formula: - C136 H120 F12 N24 O12 Pd6 S16 -
Comments: Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Pop, Flavia; Sallé, Marc Tuning the size of a redox-active tetrathiafulvalene-based self-assembled ring. Beilstein journal of organic chemistry 11 (2015) 966-971
Space group: P 1 21/n 1
Cell volume: 32670.5
Cell parameters: 23.4015; 34.9475; 39.9599; 90; 91.391; 90;  

COD ID: 4031145
CIF file Formula: - C10 H19 N O5 -
Comments: Shinde, Madhuri V.; Ople, Rohini S.; Sangtani, Ekta; Gonnade, Rajesh; Reddy, D. Srinivasa Synthesis of novel N-cyclopentenyl-lactams using the Aubé reaction. Beilstein journal of organic chemistry 11 (2015) 1060-1067
Space group: P 1 21/c 1
Cell volume: 1129.39
Cell parameters: 7.8549; 21.3643; 6.9055; 90; 102.946; 90;  

COD ID: 4031358
CIF file Formula: - C6 H4 B F9 N2 S -
Comments: Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes. Beilstein journal of organic chemistry 11 (2015) 1494-1502
Space group: P n m a
Cell volume: 1074.3
Cell parameters: 16.798; 7.072; 9.043; 90; 90; 90;  

COD ID: 4031359
CIF file Formula: - C6 H4 B F9 N2 S -
Comments: Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes. Beilstein journal of organic chemistry 11 (2015) 1494-1502
Space group: P b c a
Cell volume: 6733
Cell parameters: 10.8224; 17.875; 34.803; 90; 90; 90;  

COD ID: 4031363
CIF file Formula: - C33.25 H25.5 Cl0.5 P -
Comments: Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite. Beilstein journal of organic chemistry 11 (2015) 1520-1527
Space group: P 21 21 2
Cell volume: 4999.1
Cell parameters: 18.848; 25.98; 10.209; 90; 90; 90;  

COD ID: 4031364
CIF file Formula: - C45 H71 Cl2 O3 P2 Ru -
Comments: Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite. Beilstein journal of organic chemistry 11 (2015) 1520-1527
Space group: P b c a
Cell volume: 9038
Cell parameters: 13.703; 16.085; 41.003; 90; 90; 90;  

COD ID: 4031365
CIF file Formula: - C33 H52 Cl2 O6 P2 Ru -
Comments: Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite. Beilstein journal of organic chemistry 11 (2015) 1520-1527
Space group: P b c a
Cell volume: 7729
Cell parameters: 13.067; 15.91; 37.178; 90; 90; 90;  

COD ID: 4031516
CIF file Formula: - C32 H41 Cl3 N2 -
Comments: Grieco, Gabriele; Blacque, Olivier; Berke, Heinz A facile synthetic route to benzimidazolium salts bearing bulky aromatic N-substituents. Beilstein journal of organic chemistry 11 (2015) 1656-1666
Space group: P 1 21/n 1
Cell volume: 3091.02
Cell parameters: 12.6905; 18.5911; 14.3067; 90; 113.687; 90;  

COD ID: 4031517
CIF file Formula: - C20 H22 N2 O4 -
Comments: Zhang, Hanmo; Hay, E. Ben; Geib, Stephen J.; Curran, Dennis P. Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles and ene-sulfonamides Beilstein Journal of Organic Chemistry 11 (2015) 1649
Space group: P 1 21 1
Cell volume: 874.51
Cell parameters: 12.2554; 4.962; 15.2826; 90; 109.783; 90;  

COD ID: 4031535
CIF file Formula: - C20 H22 F12 N10 P2 Ru -
Comments: Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. Beilstein journal of organic chemistry 11 (2015) 1786-1795
Space group: C 1 2/c 1
Cell volume: 2948.4
Cell parameters: 23.24; 10.341; 16.06; 90; 130.19; 90;  

COD ID: 4031536
CIF file Formula: - C16 H20 F12 N8 P2 Ru -
Comments: Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. Beilstein journal of organic chemistry 11 (2015) 1786-1795
Space group: P 1 2/n 1
Cell volume: 3007.2
Cell parameters: 11.2914; 12.7244; 21.4357; 90; 102.469; 90;  

COD ID: 4031537
CIF file Formula: - C29 H31 F12 N9 O0 P2 Ru -
Comments: Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. Beilstein journal of organic chemistry 11 (2015) 1786-1795
Space group: P -1
Cell volume: 1990.1
Cell parameters: 11.4695; 13.1322; 13.7721; 97.701; 103.213; 94.057;  

COD ID: 4031538
CIF file Formula: - C34 H35 F12 N8 P3 Ru -
Comments: Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. Beilstein journal of organic chemistry 11 (2015) 1786-1795
Space group: P -1
Cell volume: 2105.2
Cell parameters: 9.913; 12.665; 18.222; 90; 90; 66.96;  

COD ID: 4031539
CIF file Formula: - C24 H22 F12 N8 P2 Ru -
Comments: Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. Beilstein journal of organic chemistry 11 (2015) 1786-1795
Space group: P 1 21/m 1
Cell volume: 4080.1
Cell parameters: 10.957; 22.2567; 16.8706; 90; 97.384; 90;  

COD ID: 4031711
CIF file Formula: - C32 H34 Cu N4 O6 -
Comments: Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst. Beilstein journal of organic chemistry 11 (2015) 1950-1959
Space group: P 21 21 21
Cell volume: 3073.2
Cell parameters: 32.848; 9.4827; 9.8663; 90; 90; 90;  

COD ID: 4031712
CIF file Formula: - C36 H34 Cu O8 -
Comments: Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst. Beilstein journal of organic chemistry 11 (2015) 1950-1959
Space group: P -1
Cell volume: 1616.87
Cell parameters: 8.3624; 13.5055; 14.8586; 76.556; 82.642; 85.677;  

COD ID: 4031721
CIF file Formula: - C24 H27 O2 P S -
Comments: Malysheva, Svetlana F.; Artem'ev, Alexander V.; Gusarova, Nina K.; Belogorlova, Nataliya A.; Albanov, Alexander I.; Liu, C. W.; Trofimov, Boris A. Aerobic addition of secondary phosphine oxides to vinyl sulfides: a shortcut to 1-hydroxy-2-(organosulfanyl)ethyl(diorganyl)phosphine oxides. Beilstein journal of organic chemistry 11 (2015) 1985-1990
Space group: P 1 21/c 1
Cell volume: 2187.94
Cell parameters: 14.4632; 10.7632; 14.5754; 90; 105.357; 90;  

COD ID: 4031742
CIF file Formula: - C20 H29 Cl N2 Ni -
Comments: Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J. Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands. Beilstein journal of organic chemistry 11 (2015) 2171-2178
Space group: P c a 21
Cell volume: 1873.62
Cell parameters: 16.3306; 10.2549; 11.1879; 90; 90; 90;  

COD ID: 4031743
CIF file Formula: - C32 H53 Cl N2 Ni -
Comments: Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J. Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands. Beilstein journal of organic chemistry 11 (2015) 2171-2178
Space group: P 1 21/n 1
Cell volume: 2983.48
Cell parameters: 8.5685; 13.9639; 25.1631; 90; 97.719; 90;  

COD ID: 4031800
CIF file Formula: - C59 H77 Cl N4 Pd2 -
Comments: Melvin, Patrick R.; Hazari, Nilay; Lant, Hannah M. C.; Peczak, Ian L.; Shah, Hemali P. Comparison of the catalytic activity for the Suzuki‒Miyaura reaction of (η5-Cp)Pd(IPr)Cl with (η3-cinnamyl)Pd(IPr)(Cl) and (η3-1-t-Bu-indenyl)Pd(IPr)(Cl) Beilstein Journal of Organic Chemistry 11 (2015) 2476
Space group: P 1 21 1
Cell volume: 2710.5
Cell parameters: 11.5881; 12.315; 19.3155; 90; 100.473; 90;  

COD ID: 4031866
CIF file Formula: - C17 H19 Br N2 O6 -
Comments: Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors. Beilstein journal of organic chemistry 12 (2016) 295-300
Space group: P 1
Cell volume: 931.1
Cell parameters: 9.38; 9.756; 10.518; 94.969; 90.378; 103.743;  

COD ID: 4031973
CIF file Formula: - C25 H26 O3 -
Comments: Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes. Beilstein journal of organic chemistry 12 (2016) 813-824
Space group: P 21 21 21
Cell volume: 1973.8
Cell parameters: 8.6709; 12.9435; 17.587; 90; 90; 90;  

COD ID: 4031974
CIF file Formula: - C19 H26 O3 -
Comments: Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes. Beilstein journal of organic chemistry 12 (2016) 813-824
Space group: P 1 21/c 1
Cell volume: 1595.5
Cell parameters: 10.032; 18.5; 9.118; 90; 109.47; 90;  

COD ID: 4031975
CIF file Formula: - C34 H39 Cl8 N2 P Pd -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P 1 21/c 1
Cell volume: 3906.51
Cell parameters: 11.63996; 22.90211; 14.66629; 90; 92.3283; 90;  

COD ID: 4031976
CIF file Formula: - C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 3305
Cell parameters: 11.291; 13.841; 21.603; 82.724; 80.839; 87.563;  

COD ID: 4031977
CIF file Formula: - C40 H47 B Cl2 F4 N2 P Rh -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 3825
Cell parameters: 12.435; 15.735; 19.553; 89.234; 89.261; 89.37;  

COD ID: 4031978
CIF file Formula: - C49 H62 B Cl F4 N2 P Rh -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 4520
Cell parameters: 10.903; 17.768; 24.913; 107.751; 96.045; 96.26;  

COD ID: 4031979
CIF file Formula: - C40 H47 B Cl2 F4 Ir N2 P -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 3844.17
Cell parameters: 12.47669; 15.7562; 19.5579; 89.2424; 89.4178; 89.6008;  

COD ID: 4031980
CIF file Formula: - C49 H62 B Cl F4 Ir N2 P -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 4540.08
Cell parameters: 10.95376; 17.76136; 24.90835; 107.762; 95.9466; 96.1981;  

COD ID: 4031981
CIF file Formula: - C42.5 H52 B Cl3 F4 I Ir N2 P -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P -1
Cell volume: 2152.8
Cell parameters: 11.539; 11.74; 16.334; 101.867; 93.026; 94.659;  

COD ID: 4031982
CIF file Formula: - C30 H35 F3 N O3 P Pd S -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P b c a
Cell volume: 6147
Cell parameters: 17.413; 17.673; 19.974; 90; 90; 90;  

COD ID: 4031983
CIF file Formula: - C33 H40 B F4 N P Rh -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P 1 21/c 1
Cell volume: 3068
Cell parameters: 12.941; 12.948; 19.111; 90; 106.643; 90;  

COD ID: 4031984
CIF file Formula: - C34 H40 F3 Ir N O3 P S -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P 1 21/n 1
Cell volume: 3287
Cell parameters: 13.001; 18.967; 13.378; 90; 94.921; 90;  

COD ID: 4031985
CIF file Formula: - C37 H44 Cl3 F3 I Ir N O3 P S -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P 1 21/n 1
Cell volume: 3902
Cell parameters: 17.335; 9.113; 25.21; 90; 101.562; 90;  

COD ID: 4031986
CIF file Formula: - C37 H40 B Cl2 F4 N P Rh -
Comments: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H. A modular approach to neutral P,N-ligands: synthesis and coordination chemistry. Beilstein journal of organic chemistry 12 (2016) 846-853
Space group: P 1
Cell volume: 2621.66
Cell parameters: 9.78588; 14.13707; 20.6977; 105.617; 96.468; 104.361;  

COD ID: 4031990
CIF file Formula: - C14 H19 B F4 N4 O2 Pd -
Comments: Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H. Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies. Beilstein journal of organic chemistry 12 (2016) 1040-1064
Space group: P n m a
Cell volume: 1830.5
Cell parameters: 25.328; 6.6951; 10.795; 90; 90; 90;  

COD ID: 4031991
CIF file Formula: - C26 H41 N O4 S -
Comments: Trost, Barry M.; Ryan, Michael C.; Rao, Meera Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization. Beilstein journal of organic chemistry 12 (2016) 1136-1152
Space group: P 1
Cell volume: 633.46
Cell parameters: 5.8864; 9.254; 12.6617; 104.549; 95.9357; 105.233;  

COD ID: 4032037
CIF file Formula: - C24 H33 Br I N O5 -
Comments: Mallia, Carl J.; Walter, Gary C.; Baxendale, Ian R. Flow carbonylation of sterically hindered ortho-substituted iodoarenes. Beilstein journal of organic chemistry 12 (2016) 1503-1511
Space group: P -1
Cell volume: 1282.73
Cell parameters: 8.8223; 9.7894; 17.1881; 94.4785; 101.255; 116.252;  

COD ID: 4032038
CIF file Formula: - C12 H17 Cl N4 Pd -
Comments: Meyer, Dirk; Strassner, Thomas Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands. Beilstein journal of organic chemistry 12 (2016) 1557-1565
Space group: P 1 21/c 1
Cell volume: 1364
Cell parameters: 7.991; 19.372; 11.091; 90; 127.399; 90;  

COD ID: 4032039
CIF file Formula: - C14 H12 Br Cl N4 Pd -
Comments: Meyer, Dirk; Strassner, Thomas Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands. Beilstein journal of organic chemistry 12 (2016) 1557-1565
Space group: P 1 21/c 1
Cell volume: 1559.5
Cell parameters: 11.055; 8.05; 17.92; 90; 102.069; 90;  

COD ID: 4032040
CIF file Formula: - C22 H25 F3 N4 O2 Pd -
Comments: Meyer, Dirk; Strassner, Thomas Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands. Beilstein journal of organic chemistry 12 (2016) 1557-1565
Space group: P 1 21/c 1
Cell volume: 2296.9
Cell parameters: 9.29; 20.254; 15.287; 90; 127.01; 90;  

COD ID: 4032041
CIF file Formula: - C48 H71 B P2 Pd -
Comments: Steinhoff, Patrick; Tauchert, Michael E. A T-shape diphosphinoborane palladium(0) complex. Beilstein journal of organic chemistry 12 (2016) 1573-1576
Space group: P 1 21/c 1
Cell volume: 4265.7
Cell parameters: 11.3; 14.4355; 26.239; 90; 94.704; 90;  

COD ID: 4032042
CIF file Formula: - C25 H17 N3 -
Comments: Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines. Beilstein journal of organic chemistry 12 (2016) 1812-1825
Space group: P 21 c n
Cell volume: 1791.2
Cell parameters: 6.011; 9.5419; 31.23; 90; 90; 90;  

COD ID: 4032043
CIF file Formula: - C28 H31 N3 O3 -
Comments: Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis. Beilstein journal of organic chemistry 12 (2016) 1870-1876
Space group: P 1 21 1
Cell volume: 2461.7
Cell parameters: 15.2019; 9.6219; 17.1451; 90; 101.007; 90;  

COD ID: 4032044
CIF file Formula: - C25 H18 Cl N O3 -
Comments: Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis. Beilstein journal of organic chemistry 12 (2016) 1870-1876
Space group: P 21 21 21
Cell volume: 3957.9
Cell parameters: 6.2818; 18.682; 33.725; 90; 90; 90;  

COD ID: 4032045
CIF file Formula: - C24 H16 Br N O3 -
Comments: Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis. Beilstein journal of organic chemistry 12 (2016) 1870-1876
Space group: P 21 21 21
Cell volume: 1899.3
Cell parameters: 5.7034; 11.3752; 29.276; 90; 90; 90;  

COD ID: 4032046
CIF file Formula: - C19 H16 O2 -
Comments: Kotha, Sambasivarao; Gunta, Rama Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis. Beilstein journal of organic chemistry 12 (2016) 1877-1883
Space group: P 1 21/n 1
Cell volume: 4091.8
Cell parameters: 8.483; 33.621; 14.525; 90; 98.986; 90;  

COD ID: 4032047
CIF file Formula: - C27 H26 O2 -
Comments: Kotha, Sambasivarao; Gunta, Rama Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis. Beilstein journal of organic chemistry 12 (2016) 1877-1883
Space group: P n a 21
Cell volume: 1940.9
Cell parameters: 8.108; 24.504; 9.769; 90; 90; 90;  

COD ID: 4032048
CIF file Formula: - C23 H22 O2 -
Comments: Kotha, Sambasivarao; Gunta, Rama Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis. Beilstein journal of organic chemistry 12 (2016) 1877-1883
Space group: P n m a
Cell volume: 1820.1
Cell parameters: 14.63; 11.834; 10.513; 90; 90; 90;  

COD ID: 4032049
CIF file Formula: - C21 H18 O2 -
Comments: Kotha, Sambasivarao; Gunta, Rama Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis. Beilstein journal of organic chemistry 12 (2016) 1877-1883
Space group: P -1
Cell volume: 748.8
Cell parameters: 7.524; 8.498; 12.116; 88.457; 79.09; 79.868;  

COD ID: 4032050
CIF file Formula: - C97 H58 Cl2 F4 N6 Zn -
Comments: Etheridge, Forrest S.; Fernando, Roshan J.; Pejić, Sandra; Zeller, Matthias; Sauvé, Geneviève Synthesis and characterization of fluorinated azadipyrromethene complexes as acceptors for organic photovoltaics. Beilstein journal of organic chemistry 12 (2016) 1925-1938
Space group: C 1 2/c 1
Cell volume: 7298.8
Cell parameters: 21.926; 17.636; 18.914; 90; 93.67; 90;  

COD ID: 4032055
CIF file Formula: - C31 H33 Cl N2 O5 -
Comments: Torii, Masahiro; Kato, Kohsuke; Uraguchi, Daisuke; Ooi, Takashi Chiral ammonium betaine-catalyzed asymmetric Mannich-type reaction of oxindoles. Beilstein journal of organic chemistry 12 (2016) 2099-2103
Space group: P 1 21 1
Cell volume: 1435.4
Cell parameters: 8.9878; 14.6983; 10.8669; 90; 90.983; 90;  

COD ID: 4032060
CIF file Formula: - C40 H39 Br2 N7 O4 S2 -
Comments: Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N. An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy Beilstein Journal of Organic Chemistry 12 (2016) 2240
Space group: P b c a
Cell volume: 8228.1
Cell parameters: 17.5326; 20.845; 22.514; 90; 90; 90;  

COD ID: 4032061
CIF file Formula: - C45 H45 Br N10 O3 S -
Comments: Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N. An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy Beilstein Journal of Organic Chemistry 12 (2016) 2240
Space group: P 1 21/c 1
Cell volume: 4276.9
Cell parameters: 10.2603; 11.415; 36.6392; 90; 94.683; 90;  

COD ID: 4032062
CIF file Formula: - C30 H32 N8 O5 S -
Comments: Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N. An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy Beilstein Journal of Organic Chemistry 12 (2016) 2240
Space group: P 1 21/c 1
Cell volume: 2928.71
Cell parameters: 15.7105; 13.4273; 15.0819; 90; 112.995; 90;  

COD ID: 4032063
CIF file Formula: - C20 H15 N3 O4 -
Comments: Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A. Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides Beilstein Journal of Organic Chemistry 12 (2016) 2390
Space group: P 1 21/c 1
Cell volume: 1714.44
Cell parameters: 8.9292; 12.2608; 15.9631; 90; 101.183; 90;  

COD ID: 4032064
CIF file Formula: - C13 H10 N4 O3 -
Comments: Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A. Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides Beilstein Journal of Organic Chemistry 12 (2016) 2390
Space group: P 21 21 21
Cell volume: 1211.75
Cell parameters: 6.52; 10.4602; 17.7675; 90; 90; 90;  

COD ID: 4032065
CIF file Formula: - C21 H16 N2 O4 -
Comments: Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A. Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides Beilstein Journal of Organic Chemistry 12 (2016) 2390
Space group: P 1 21/c 1
Cell volume: 1746.33
Cell parameters: 8.9596; 12.5516; 15.7754; 90; 100.144; 90;  

COD ID: 4032066
CIF file Formula: - C22 H34 Cl2 N4 O8 -
Comments: Counsell, Andrew J.; Jones, Angus T.; Todd, Matthew H.; Rutledge, Peter J. A direct method for the N-tetraalkylation of azamacrocycles Beilstein Journal of Organic Chemistry 12 (2016) 2457
Space group: P 1 21/n 1
Cell volume: 1270.25
Cell parameters: 9.7218; 14.1376; 10.2523; 90; 115.65; 90;  

COD ID: 4032067
CIF file Formula: - C18.5 H37 N7 O7.5 -
Comments: Semakin, Artem N.; Kokuev, Aleksandr O.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Zhmurov, Petr A.; Ioffe, Sema L.; Tartakovsky, Vladimir A. Construction of bis-, tris- and tetrahydrazones by addition of azoalkenes to amines and ammonia Beilstein Journal of Organic Chemistry 12 (2016) 2471
Space group: P 1 21/n 1
Cell volume: 5040.3
Cell parameters: 14.325; 12.234; 29.447; 90; 102.398; 90;  

COD ID: 4032068
CIF file Formula: - C46 H90 N2 O38 -
Comments: Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent Beilstein Journal of Organic Chemistry 12 (2016) 2495
Space group: P 21 21 2
Cell volume: 2977.26
Cell parameters: 16.7086; 21.6694; 8.223; 90; 90; 90;  

COD ID: 4032069
CIF file Formula: - C106.5 H214.5 N4.5 O91.5 -
Comments: Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent Beilstein Journal of Organic Chemistry 12 (2016) 2495
Space group: P 1
Cell volume: 3651.5
Cell parameters: 15.3495; 15.391; 17.9894; 113.338; 99.5367; 102.721;  

COD ID: 4032070
CIF file Formula: - C18 H15 N3 O2 -
Comments: Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E. Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis Beilstein Journal of Organic Chemistry 12 (2016) 2503
Space group: P 1 21/c 1
Cell volume: 1538.28
Cell parameters: 11.7917; 7.5448; 17.661; 90; 101.754; 90;  

COD ID: 4032071
CIF file Formula: - C23 H21 N3 O5 -
Comments: Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E. Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis Beilstein Journal of Organic Chemistry 12 (2016) 2503
Space group: P -1
Cell volume: 988.21
Cell parameters: 8.9685; 10.6487; 11.0785; 93.48; 95.886; 109.306;  

COD ID: 4032072
CIF file Formula: - C18 H16 O5 -
Comments: Jung, Youngeun; Singh, Dileep Kumar; Kim, Ikyon Symmetry-based approach to oligostilbenoids: Rapid entry to viniferifuran, shoreaphenol, malibatol A, and diptoindonesin G Beilstein Journal of Organic Chemistry 12 (2016) 2689
Space group: P 1 21/c 1
Cell volume: 1566.7
Cell parameters: 11.0577; 12.8224; 11.7987; 90; 110.529; 90;  

COD ID: 4032074
CIF file Formula: - C27 H34 N2 O3 -
Comments: Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till Characterization of the synthetic cannabinoid MDMB-CHMCZCA Beilstein Journal of Organic Chemistry 12 (2016) 2808
Space group: P 21 21 21
Cell volume: 2372.92
Cell parameters: 5.6166; 13.392; 31.5475; 90; 90; 90;  

COD ID: 4032426
CIF file Formula: - C24 H28 N2 O4 S2 -
Comments: Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S. Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst Beilstein Journal of Organic Chemistry 13 (2017) 639
Space group: P -1
Cell volume: 1149.8
Cell parameters: 7.5018; 12.743; 13.473; 65.335; 79.309; 86.703;  

COD ID: 4032427
CIF file Formula: - C28 H36 N2 O4 S2 -
Comments: Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S. Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst Beilstein Journal of Organic Chemistry 13 (2017) 639
Space group: P -1
Cell volume: 705.83
Cell parameters: 9.1158; 9.4944; 9.9154; 61.548; 71.971; 72.698;  

COD ID: 4033275
CIF file Formula: - C21 H23 N O S2 -
Comments: Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf [2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties Beilstein Journal of Organic Chemistry 11 (2015) 1917-1921
Space group: P b c a
Cell volume: 3682.2
Cell parameters: 11.8026; 8.2761; 37.697; 90; 90; 90;  

COD ID: 4033276
CIF file Formula: - C19 H16 S3 -
Comments: Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf [2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties Beilstein Journal of Organic Chemistry 11 (2015) 1917-1921
Space group: P 1 21 1
Cell volume: 1592.03
Cell parameters: 7.4723; 23.1083; 9.2378; 90; 93.56; 90;  

COD ID: 4033352
CIF file Formula: - C12 H14 I N O -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: P 1 21/c 1
Cell volume: 1202.83
Cell parameters: 10.5231; 12.4625; 9.6181; 90; 107.523; 90;  

COD ID: 4033353
CIF file Formula: - C12 H16 I N -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: P 1 21/c 1
Cell volume: 2345.66
Cell parameters: 18.006; 9.8997; 13.7872; 90; 107.361; 90;  

COD ID: 4033354
CIF file Formula: - C15 H20 I N O -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: P 1 21/n 1
Cell volume: 1537
Cell parameters: 8.358; 15.7426; 11.7029; 90; 93.446; 90;  

COD ID: 4033355
CIF file Formula: - C20 H32 B N O2 -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: P 1 21/c 1
Cell volume: 3957.4
Cell parameters: 12.0435; 11.5154; 28.6939; 90; 96.039; 90;  

COD ID: 4033356
CIF file Formula: - C20 H30 B N O2 -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: P 1 21/c 1
Cell volume: 3940.3
Cell parameters: 12.2051; 11.3054; 28.6657; 90; 95.011; 90;  

COD ID: 4033357
CIF file Formula: - C11 H12 I N O -
Comments: David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines Beilstein Journal of Organic Chemistry 12 (2016) 1851-1862
Space group: C 1 2/c 1
Cell volume: 2209.58
Cell parameters: 18.723; 8.16224; 17.8772; 90; 126.024; 90;  

COD ID: 4037807
CIF file Formula: - C40 H44 I20 N6 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P 1 21/c 1
Cell volume: 7154.5
Cell parameters: 12.2054; 28.5826; 20.7771; 90; 99.232; 90;  

COD ID: 4037808
CIF file Formula: - C20 H22 Br I2 N3 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: I -4
Cell volume: 5482.7
Cell parameters: 23.5982; 23.5982; 9.8455; 90; 90; 90;  

COD ID: 4037809
CIF file Formula: - C20 H22 I3 N3 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P -4 21 c
Cell volume: 5801.9
Cell parameters: 23.9419; 23.9419; 10.1217; 90; 90; 90;  

COD ID: 4037810
CIF file Formula: - C20 H22 Cl I2 N3 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: C 1 2 1
Cell volume: 5279.4
Cell parameters: 32.77; 9.7269; 23.215; 90; 134.483; 90;  

COD ID: 4037811
CIF file Formula: - C20 H22 B F4 I2 N3 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P -1
Cell volume: 3872.6
Cell parameters: 15.734; 16.15; 18.906; 109.625; 90.918; 118.792;  

COD ID: 4037812
CIF file Formula: - C40 H44 I12 N6 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P 1 21/c 1
Cell volume: 5744
Cell parameters: 16.791; 28.467; 12.617; 90; 107.753; 90;  

COD ID: 4037813
CIF file Formula: - C22 H22 F3 I2 N3 O2 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P 1 21/n 1
Cell volume: 5070.6
Cell parameters: 22.3708; 11.2189; 22.842; 90; 117.81; 90;  

COD ID: 4037814
CIF file Formula: - C54 H60 B2 Cl8 F8 I4 N8 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P 1 21/c 1
Cell volume: 6974.1
Cell parameters: 18.1509; 18.7643; 20.4941; 90; 92.369; 90;  

COD ID: 4037815
CIF file Formula: - C23 H27 Cl2 I2 N3 O2 -
Comments: Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions Beilstein Journal of Organic Chemistry 16 (2020) 78-87
Space group: P 1 21/c 1
Cell volume: 2681.9
Cell parameters: 11.9179; 27.124; 8.6997; 90; 107.515; 90;  

COD ID: 4038065
CIF file Formula: - C88 H108 B6 O12 -
Comments: Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro Six-fold C‒H borylation of hexa-peri-hexabenzocoronene Beilstein Journal of Organic Chemistry 16 (2020) 391-397
Space group: P a -3
Cell volume: 7897.6
Cell parameters: 19.9143; 19.9143; 19.9143; 90; 90; 90;  

COD ID: 4038068
CIF file Formula: - C28 H28 N2 O Si -
Comments: Dong, Yafang; Sakai, Masahiko; Fuji, Kazuto; Sekine, Kohei; Kuninobu, Yoichiro Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel‒Crafts reaction Beilstein Journal of Organic Chemistry 16 (2020) 409-414
Space group: P -1
Cell volume: 2577.23
Cell parameters: 12.4645; 12.9987; 16.7305; 83.723; 73.112; 86.634;  

COD ID: 4038105
CIF file Formula: - C50 H66 B Cu F4 N6 -
Comments: Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts Beilstein Journal of Organic Chemistry 16 (2020) 482-491
Space group: P 1 21/c 1
Cell volume: 4769
Cell parameters: 14.58; 21.854; 15.012; 90; 94.439; 90;  

COD ID: 4038106
CIF file Formula: - C55.5 H79 B Cl2 Cu F4 N5 -
Comments: Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts Beilstein Journal of Organic Chemistry 16 (2020) 482-491
Space group: P -1
Cell volume: 2820.1
Cell parameters: 12.7795; 14.5381; 16.8715; 88.893; 76.742; 67.949;  

COD ID: 4038107
CIF file Formula: - C33 H41 Cu F3 N3 O3 S -
Comments: Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts Beilstein Journal of Organic Chemistry 16 (2020) 482-491
Space group: P 1 21/n 1
Cell volume: 3398.4
Cell parameters: 11.568; 14.868; 20.299; 90; 103.248; 90;  

COD ID: 4038140
CIF file Formula: - C36 H37 O3 P -
Comments: Rahman, Md Shafiqur; Yoshikai, Naohiko Synthesis of triphenylene-fused phosphole oxides via C‒H functionalizations Beilstein Journal of Organic Chemistry 16 (2020) 524-529
Space group: P 1 21/n 1
Cell volume: 2846.92
Cell parameters: 7.5972; 23.8844; 15.6911; 90; 90.8293; 90;  

COD ID: 4038167
CIF file Formula: - C44 H65 B F2 N2 Si2 -
Comments: Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties. Beilstein journal of organic chemistry 16 (2020) 587-595
Space group: C 1 2 1
Cell volume: 8721.9
Cell parameters: 33.9498; 21.4322; 12.1761; 90; 100.114; 90;  

COD ID: 4038168
CIF file Formula: - C40 H57 B F2 N2 Si2 -
Comments: Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties. Beilstein journal of organic chemistry 16 (2020) 587-595
Space group: P 1 2/n 1
Cell volume: 3931.69
Cell parameters: 19.9534; 8.04654; 25.0121; 90; 101.75; 90;  

COD ID: 4038201
CIF file Formula: - C56 H64 B4 Cl4 O8 -
Comments: Kano, Haruka; Uehara, Keiji; Matsuo, Kyohei; Hayashi, Hironobu; Yamada, Hiroko; Aratani, Naoki Direct borylation of terrylene and quaterrylene. Beilstein journal of organic chemistry 16 (2020) 621-627
Space group: P 1 21/c 1
Cell volume: 2716
Cell parameters: 6.691; 29.13; 14.044; 90; 97.183; 90;  

COD ID: 4038239
CIF file Formula: - C23 H19 F2 N O4 S -
Comments: Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis. Beilstein journal of organic chemistry 16 (2020) 638-644
Space group: P 1 21/n 1
Cell volume: 2100
Cell parameters: 11.187; 9.038; 20.928; 90; 97.133; 90;  

COD ID: 4038240
CIF file Formula: - C23 H20 Cl F2 N O4 S -
Comments: Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis. Beilstein journal of organic chemistry 16 (2020) 638-644
Space group: P 1 21 1
Cell volume: 1071.3
Cell parameters: 5.5826; 16.132; 11.8958; 90; 90.12; 90;  

COD ID: 4038255
CIF file Formula: - C17 H28 F2 -
Comments: Fang, Zeguo; Al-Maharik, Nawaf; Kirsch, Peer; Bremer, Matthias; Slawin, Alexandra M. Z.; O'Hagan, David Synthesis of organic liquid crystals containing selectively fluorinated cyclopropanes. Beilstein journal of organic chemistry 16 (2020) 674-680
Space group: P -1
Cell volume: 769.98
Cell parameters: 5.95332; 10.881; 13.1778; 113.8; 90.4964; 98.6123;  

COD ID: 4038256
CIF file Formula: - C29 H14 O2 -
Comments: Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents. Beilstein journal of organic chemistry 16 (2020) 681-690
Space group: P 1 21/c 1
Cell volume: 3526.3
Cell parameters: 17.274; 7.4408; 27.913; 90; 100.62; 90;  

COD ID: 4038257
CIF file Formula: - C30 H18 O2 -
Comments: Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents. Beilstein journal of organic chemistry 16 (2020) 681-690
Space group: P b c a
Cell volume: 3671.7
Cell parameters: 17.382; 7.2895; 28.978; 90; 90; 90;  

COD ID: 4038270
CIF file Formula: - C12 H25 D2 F N O8 P -
Comments: Kaźmierczak, Marcin; Koroniak, Henryk Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates. Beilstein journal of organic chemistry 16 (2020) 756-762
Space group: P 21 21 21
Cell volume: 1870.14
Cell parameters: 6.3466; 12.0072; 24.5409; 90; 90; 90;  

COD ID: 4038273
CIF file Formula: - C100 H90 N8 Ni Zn -
Comments: Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O. Towards triptycene functionalization and triptycene-linked porphyrin arrays. Beilstein journal of organic chemistry 16 (2020) 763-777
Space group: P -1
Cell volume: 3979.5
Cell parameters: 10.5794; 12.0811; 31.213; 90.007; 94.017; 90.367;  

COD ID: 4038274
CIF file Formula: - C18 H21 Si -
Comments: Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O. Towards triptycene functionalization and triptycene-linked porphyrin arrays. Beilstein journal of organic chemistry 16 (2020) 763-777
Space group: P -1
Cell volume: 1655.53
Cell parameters: 10.9626; 11.864; 12.8821; 90.244; 93.352; 98.157;  

COD ID: 4038400
CIF file Formula: - C26 H18 N4 Se2 -
Comments: Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium Beilstein Journal of Organic Chemistry 16 (2020) 1075-1083
Space group: P -1
Cell volume: 1057.1
Cell parameters: 9.851; 9.897; 12.535; 109.173; 110.356; 94.319;  

COD ID: 4038401
CIF file Formula: - C26 H18 N4 Se -
Comments: Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C‒H selenation of 2-arylimidazo[1,2-a]pyridine with selenium Beilstein Journal of Organic Chemistry 16 (2020) 1075-1083
Space group: P 1 21/n 1
Cell volume: 2062.4
Cell parameters: 12.1774; 13.8146; 12.5652; 90; 102.665; 90;  

COD ID: 4038412
CIF file Formula: - C90 H98 N8 O33 S8 -
Comments: Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N. The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts Beilstein Journal of Organic Chemistry 16 (2020) 1124-1134
Space group: P 1 21/c 1
Cell volume: 9300.9
Cell parameters: 20.6034; 20.133; 22.4357; 90; 91.989; 90;  

COD ID: 4038413
CIF file Formula: - C45 H40 N4 O12 S4 -
Comments: Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N. The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts Beilstein Journal of Organic Chemistry 16 (2020) 1124-1134
Space group: P -1
Cell volume: 4229
Cell parameters: 13.416; 13.887; 22.73; 88.564; 87.351; 89.836;  

COD ID: 4038503
CIF file Formula: - C11 H10 N O -
Comments: Tambe, Shrikant D.; Min, Kwan Hong; Iqbal, Naeem; Cho, Eun Jin Distinctive reactivity of <i>N</i>-benzylidene-[1,1'-biphenyl]-2-amines under photoredox conditions. Beilstein journal of organic chemistry 16 (2020) 1335-1342
Space group: P -1
Cell volume: 1424.6
Cell parameters: 9.5001; 10.163; 15.8945; 101.392; 102.647; 100.795;  

COD ID: 4038522
CIF file Formula: - C10 H11 N3 S2 -
Comments: Kang, Gui-Feng; Zhang, Gang One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions Beilstein Journal of Organic Chemistry 16 (2020) 1447-1455
Space group: P -1
Cell volume: 547.9
Cell parameters: 5.258; 8.81; 12.257; 99.991; 98.639; 95.953;  

COD ID: 4038540
CIF file Formula: - C14 H15 Br F3 N O2 -
Comments: Davies, Alyn T.; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D. NHC-catalyzed enantioselective synthesis of β-trifluoromethyl-β-hydroxyamides Beilstein Journal of Organic Chemistry 16 (2020) 1572-1578
Space group: P 1 21 1
Cell volume: 1512
Cell parameters: 9.928; 7.168; 21.272; 90; 92.812; 90;  

COD ID: 4038541
CIF file Formula: - C36 H42 Fe N3 O3 -
Comments: Lagesse, Natalie; Pisciottani, Luca; Douarre, Maxime; Godard, Pascale; Kauffmann, Brice; Martí-Centelles, Vicente; McClenaghan, Nathan D. Five-component, one-pot synthesis of an electroactive rotaxane comprising a bisferrocene macrocycle Beilstein Journal of Organic Chemistry 16 (2020) 1564-1571
Space group: P -1
Cell volume: 1554.09
Cell parameters: 9.5366; 11.6279; 14.9396; 99.002; 108.001; 90.007;  

COD ID: 4038672
CIF file Formula: - C2.7 H2.7 F0.1 N0.2 O0.3 -
Comments: Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A. Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination. Beilstein journal of organic chemistry 16 (2020) 1963-1973
Space group: P 21 21 21
Cell volume: 2415.43
Cell parameters: 10.0069; 14.7854; 16.3253; 90; 90; 90;  

COD ID: 4038673
CIF file Formula: - C27 H27 F N2 O3 -
Comments: Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A. Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination. Beilstein journal of organic chemistry 16 (2020) 1963-1973
Space group: P 1 21/n 1
Cell volume: 2383.5
Cell parameters: 13.199; 11.712; 15.424; 90; 91.56; 90;  

COD ID: 4038715
CIF file Formula: - C15 H22 N O7 P -
Comments: Reznikov, Alexander N.; Nikerov, Dmitry S.; Sibiryakova, Anastasiya E.; Rybakov, Victor B.; Golovin, Evgeniy V.; Klimochkin, Yuri N. Convenient access to pyrrolidin-3-ylphosphonic acids and tetrahydro-2H-pyran-3-ylphosphonates with multiple contiguous stereocenters from nonracemic adducts of a Ni(II)-catalyzed Michael reaction Beilstein Journal of Organic Chemistry 16 (2020) 2073-2079
Space group: P 21 21 21
Cell volume: 1817.8
Cell parameters: 9.6607; 11.0178; 17.0785; 90; 90; 90;  

COD ID: 4038899
CIF file Formula: - C28 H35 N O7 S8 -
Comments: Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A. Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes Beilstein Journal of Organic Chemistry 16 (2020) 2576-2588
Space group: P 1 21/c 1
Cell volume: 3355.5
Cell parameters: 31.5592; 12.8309; 8.3107; 90; 94.379; 90;  

COD ID: 4038900
CIF file Formula: - C46 H46 N2 O12 -
Comments: Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A. Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes Beilstein Journal of Organic Chemistry 16 (2020) 2576-2588
Space group: P 1 21 1
Cell volume: 3861.9
Cell parameters: 19.695; 9.1282; 21.618; 90; 96.451; 90;  

COD ID: 4038901
CIF file Formula: - C44 H50 N4 O10 -
Comments: Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A. Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes Beilstein Journal of Organic Chemistry 16 (2020) 2576-2588
Space group: P 1 21/c 1
Cell volume: 3869
Cell parameters: 13.6717; 9.8821; 28.639; 90; 90.657; 90;  

COD ID: 4038923
CIF file Formula: - C8 H7 N O2 S -
Comments: Vogt, Astrid; Henne, Florian; Wetzel, Christoph; Mena-Osteritz, Elena; Bäuerle, Peter Synthesis and characterization of S,N-heterotetracenes Beilstein Journal of Organic Chemistry 16 (2020) 2636-2644
Space group: P 1 21/n 1
Cell volume: 802.25
Cell parameters: 11.0745; 4.6972; 15.6995; 90; 100.785; 90;  

COD ID: 4038936
CIF file Formula: - C18 H19 N5 O3 S -
Comments: Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides Beilstein Journal of Organic Chemistry 16 (2020) 2937-2947
Space group: P -1
Cell volume: 913.83
Cell parameters: 7.1372; 7.2212; 18.9343; 89.548; 85.809; 69.902;  

COD ID: 4038937
CIF file Formula: - C17 H14 N4 O5 S -
Comments: Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides Beilstein Journal of Organic Chemistry 16 (2020) 2937-2947
Space group: P 1 21/n 1
Cell volume: 1970
Cell parameters: 10.21; 7.242; 26.864; 90; 97.45; 90;  

COD ID: 4038938
CIF file Formula: - C23 H27 N7 O7 S -
Comments: Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides Beilstein Journal of Organic Chemistry 16 (2020) 2937-2947
Space group: P -1
Cell volume: 1290.7
Cell parameters: 9.4172; 11.4155; 13.0409; 97.171; 96.461; 109.787;  

COD ID: 4038939
CIF file Formula: - C56 H70 Br O10 -
Comments: Sheng, Xinru; Li, Errui; Huang, Feihe Construction of pillar[4]arene[1]quinone‒1,10-dibromodecane pseudorotaxanes in solution and in the solid state Beilstein Journal of Organic Chemistry 16 (2020) 2954-2959
Space group: P 1 21/c 1
Cell volume: 5159.6
Cell parameters: 17.4426; 19.3528; 15.3931; 90; 96.8; 90;  

COD ID: 4038941
CIF file Formula: - C13 H15 F4 N S -
Comments: Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D. Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction Beilstein Journal of Organic Chemistry 16 (2020) 3104-3108
Space group: P 1 21/c 1
Cell volume: 1309.97
Cell parameters: 13.2686; 7.4126; 13.3406; 90; 93.271; 90;  

COD ID: 4038942
CIF file Formula: - C14 H15 F4 N O2 -
Comments: Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D. Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction Beilstein Journal of Organic Chemistry 16 (2020) 3104-3108
Space group: P 1 21/c 1
Cell volume: 1373.33
Cell parameters: 13.413; 7.3746; 13.884; 90; 90.257; 90;  

COD ID: 4039019
CIF file Formula: - C12 H15 N O3 S -
Comments: Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien Asymmetric synthesis of a stereopentade fragment toward latrunculins Beilstein Journal of Organic Chemistry 19 (2023) 428-433
Space group: P 1 21 1
Cell volume: 605
Cell parameters: 5.5075; 5.6395; 19.524; 90; 93.936; 90;  


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