Crystallography Open Database

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1502817 CIFC32.55 H51.96 O4P 6520.2775; 20.2775; 11.8524
90; 90; 120
4220.5Maldonado, Emma; Díaz-Arumir, Humberto; Toscano, R. Alfredo; Martínez, Mahinda
Lupane triterpenes with a δ-lactone at ring E, from Lippia mexicana.
Journal of natural products, 2010, 73, 1969-1972
1504463 CIFC15 H20 O4P 6514.058; 14.058; 15.624
90; 90; 120
2674.1He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.
Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.
Journal of natural products, 2008, 71, 1485-1488
1506258 CIFC38 H50 O14P 6523.446; 23.446; 14.036
90; 90; 120
6682Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min
Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.
Organic letters, 2006, 8, 4935-4938
1506320 CIFC40 H43 N3 O4P 6523.721; 23.721; 12.93
90; 90; 120
6300.8Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos
A helical, aromatic, peptide nanotube.
Organic letters, 2006, 8, 6091-6094
1507335 CIFC19.17 H17 N O3P 6519.154; 19.154; 8.393
90; 90; 120
2666.7Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A
Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.
Organic letters, 2003, 5, 2531-2534
1507506 CIFC21 H26 N2 O2P 6510.0689; 10.0689; 30.962
90; 90; 120
2718.5Myers, Andrew G.; Barbay, Joseph K.
On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates
Organic Letters, 2001, 3, 425
1513514 CIFC27 H39 N3 O9 S3P 6516.4549; 16.4549; 21.286
90; 90; 120
4991.3Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish
Porous organic material from discotic tricarboxyamide: side chain-core interactions.
Organic letters, 2014, 16, 38-41
1513606 CIFC126 H84 La3 N3 O21P 6534.2658; 34.2658; 21.8681
90; 90; 120
22236.3Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu
High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy
Chemical Science, 2014, 5, 660
1515605 CIFC12 H36 B3 N3P 6519.5895; 19.5895; 31.1522
90; 90; 120
10353Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.
Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity
Chemical Science, 2011, 2, 1554
1515754 CIFC38 H55 N5 O8P 6510.9741; 10.9741; 59.527
90; 90; 120
6208.4Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish
Mesoporous vesicles from supramolecular helical peptide as drug carrier
Soft Matter, 2011, 7, 10174
1517138 CIFC58 H48 N4 O4 TiP 6525.6435; 25.6435; 14.3257
90; 90; 120
8158.3Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi
Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands
Inorganica Chimica Acta, 2013, 402, 140-155
1517848 CIFC27 H31 N2 O5P 6538.5889; 38.5889; 6.4839
90; 90; 120
8361.6Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui
Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products.
Organic letters, 2014, 16, 5358-5361
1519686 CIFC43 H59 Cl3 N4 O7P 6525.987; 25.987; 12.7789
90; 90; 120
7473.7Lim, Kuan-Hon; Raja, Vijay J.; Bradshaw, Tracey D.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Ibogan, tacaman, and cytotoxic bisindole alkaloids from tabernaemontana. Cononusine, an iboga alkaloid with unusual incorporation of a pyrrolidone moiety.
Journal of natural products, 2015, 78, 1129-1138
1530237 CIFBa H2 N2 O5P 657.0749; 7.0749; 17.8909
90; 90; 120
775.539Kvick, A.; Abrahams, S.C.; Liminga, R.
Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K
Journal of Chemical Physics, 1982, 76, 5508-5514
1534351 CIFC16 H30 N2 O5 SP 6511.4458; 11.4458; 27.7551
90; 90; 120
3148.95Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro
A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.
Soft matter, 2015, 12, 238-245
1534397 CIFC30 H25 Cl3 N2 S2P 6513.8888; 13.8888; 25.754
90; 90; 120
4302.3Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke
2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior
Chem. Sci., 2016, 7, 451
1534555 CIFB Co1.25 H7 N0.5 O10.5 P2P 659.4914; 9.4914; 15.5825
90; 90; 120
1215.7Schaefer, G.; Carrillo-Cabrera, W.; Schnelle, W.; Borrmann, H.; Kniep, R.
Synthesis and crystal structure of ((N H4)x Co3/2-x/2) (H2 O)2 (B P2 O8) * (1-x)(H2 O) (x = 0.5)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 289-294
1540580 CIFC34 H30 O2P 6526.2091; 26.2091; 6.7076
90; 90; 120
3990.3Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke
Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.
Organic letters, 2015, 17, 6018-6021
1543721 CIFC19 H20 O9P 6510.936; 10.936; 25.7965
90; 90; 120
2671.83Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang
Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22
Journal of Natural Products, 2016
1544649 CIFC19 H35 N3 O7P 6519.7793; 19.7793; 11.2095
90; 90; 120
3797.9Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish
A self-assembled peptide mimetic of a tubular host and a supramolecular polymer
Polym. Chem., 2017, 8, 396
1546098 CIFC20 H30 O9P 6518.6492; 18.6492; 12.5645
90; 90; 120
3784.4Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui
Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.
Organic letters, 2017, 19, 3029-3032
1546317 CIFC26 H34 Cl N O5 SP 6529.348; 29.348; 5.4131
90; 90; 120
4037.7Al-Saffar, Firas M; Brown, Richard C. D.
A Two-Directional Synthesis of (+)-β-Isosparteine.
Organic letters, 2017, 19, 3502-3504
1546799 CIFC16 H21 N O3P 6512.9639; 12.9639; 14.8451
90; 90; 120
2160.65Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi
Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.
Organic letters, 2017, 19, 4668-4671
1546956 CIFC24 H36 O3P 6510.1208; 10.1208; 37.134
90; 90; 120
3294.06Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao
Anti-inflammatory Meroterpenoids from Baeckea frutescens.
Journal of natural products, 2017, 80, 2204-2214
1547006 CIFC24 H18 Cl F5 N6 OP 6517.34103; 17.34103; 15.00551
90; 90; 120
3907.79Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha
Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.
Organic letters, 2017, 19, 4448-4451
1547604 CIFC9 H7 F2 N O4P 6515.9119; 15.9119; 20.3939
90; 90; 120
4471.7Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo
Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.
Organic letters, 2017, 19, 5689-5692
1547860 CIFC30.16 H25.33 Cl0.33 N O2P 6526.4511; 26.4511; 11.7055
90; 90; 120
7092.64Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang
Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.
Organic letters, 2017, 19, 6112-6115
1549804 CIF
HKL
Paper
C18 H18 Cl N3 OP 659.9013; 9.9013; 28.981
90; 90; 120
2460.5Lee, Ji Hye; Koh, Dongsoo
2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride
IUCrData, 2018, 3, x181152
1550337 CIFC31 H38 Cl2 O5 P SP 6522.6855; 22.6855; 10.7563
90; 90; 120
4793.9Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao
Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers
Polymer Chemistry, 2019, 10, 546
1551356 CIFC36 H30 Cl2 F12 Mn N4P 659.2109; 9.2109; 76.327
90; 90; 120
5608.1Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White
Chemoselective methylene oxidation in aromatic molecules
Nature Chemistry, 2019, 11, 213-221
1553313 CIFC14 H20 O4P 6515.7712; 15.7712; 10.4612
90; 90; 120
2253.42Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua
Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata.
Journal of natural products, 2018, 81, 1148-1153
1554275 CIFC70 H84 O24P 6514.7018; 14.7018; 53.2893
90; 90; 120
9974.97Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun
Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity
Organic Chemistry Frontiers, 2018, 5, 1079
1554744 CIFC30 H43 N O7P 6517.407; 17.407; 17.977
90; 90; 120
4717.3Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei
Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate
Organic Chemistry Frontiers, 2019, 6, 868
1555176 CIFC18 H26 O6P 6520.3875; 20.3875; 7.4174
90; 90; 120
2669.99Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao
Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.
Organic Chemistry Frontiers, 2019, 6, 3847
1555367 CIFC18 H23 N O7P 6510.2093; 10.2093; 30.4222
90; 90; 120
2746.08N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V.
Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene.
Organic letters, 2015, 17, 5312-5315
1555919 CIFC15 H12 N2 OP 656.1726; 6.1726; 54.71
90; 90; 120
1805.2Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong
AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.
Organic letters, 2016, 18, 5928-5931
1555920 CIFC15 H12 N2 OP 656.1726; 6.1726; 54.71
90; 90; 120
1805.2Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong
AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.
Organic letters, 2016, 18, 5928-5931
1556162 CIFC24 H22 O6P 6519.1393; 19.1393; 10.2697
90; 90; 120
3257.92Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F
Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.
Organic letters, 2013, 15, 2958-2961
1558399 CIFF I2 O6 YP 656.8455; 6.8455; 21.807
90; 90; 120
885Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning
Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials
Chemical Science, 2020
1564160 CIFC64 H52 Cl2 Mo2 N2 O9 P2P 6512.2043; 12.2043; 76.2069
90; 90; 120
9829.9Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi
Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation
Inorganica Chimica Acta, 2020, 511, 119775
1564322 CIFC54.26 H54 Ca0.75 N14 O39.41 S3P 6517.90824; 17.90824; 46.5216
90; 90; 120
12920.8Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan
Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles
Chemical Science, 2021
1564370 CIFC29 H65 N3 O13 P3 TbP 6517.0143; 17.0143; 23.529
90; 90; 120
5898.8Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min
From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers
Chemical Science, 2021
1569428 CIFC35 H31 N3 O4 SP 6521.8313; 21.8313; 11.5605
90; 90; 120
4771.6Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei
Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.
Chemical science, 2023, 14, 7999-8005
1572542 CIFC11 H12 N2 O5 ZnP 6510.9657; 10.9657; 19.0815
90; 90; 120
1987.08Song, Ting; Zhu, Yinning; Li, Zhehao; Mei, Zhewei; Shao, Zhen-Wu; Liu, Chong
A Robust Zn-Hydroxamate Metal–Organic Framework Constructed from an Unsymmetrical Ligand for Iodine Capture
Symmetry, 2024, 16, 1049
1572618 CIFC26 H27 N3 O4P 6512.7958; 12.7958; 26.2968
90; 90; 120
3728.8Haridas, V.; Maurya, Govind P.; Dutta, Souvik
Designer Pseudopeptides: Autofluorescent Polygonal Tubes via Phe-zipper and Triple Helix
Chemical Science, 2024
1572712 CIFC49 H53 N2 O6 YP 6512.3509; 12.3509; 51.4803
90; 90; 120
6800.9no bibliography
2003474 CIF
Paper
C38 H42 N4 O6 SiP 6515.273; 15.273; 27.399
90; 90; 120
5535Barnes, J. C.; Field, R. A.
Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section C, 1995, 51, 1018-1020
2005812 CIF
Paper
C12 H20 O4P 657.755; 7.755; 35.137
90; 90; 120
1830.03Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.
Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>
Acta Crystallographica Section C, 1996, 52, 3216-3217
2007640 CIF
Paper
C10.48 H17.2 O2.12P 6516.9681; 16.9681; 6.5473
90; 90; 120
1632.5Lutz, Martin; Spek, Anthony L.
(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate
Acta Crystallographica Section C, 1998, 54, 1293-1295
2010341 CIF
Paper
C18 H12 O2 S2P 659.936; 9.936; 52.27
90; 90; 120
4469Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul
(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione
Acta Crystallographica Section C, 1994, 50, 1922-1924

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