Crystallography Open Database
Search results
Result: there are 3786 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P b c n'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 7150608 | CIF | C22 H12 N2 S2 | P b c n | 21.4777; 10.0334; 7.525 90; 90; 90 | 1621.6 | Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives Organic & Biomolecular Chemistry, 2009, 7, 2082-2092 |
| 7151034 | CIF | C18 H18 O | P b c n | 8.8975; 12.1847; 24.8677 90; 90; 90 | 2696 | Iqbal, Mazhar; Duffy, Patricia; Evans, Paul; Cloughley, George; Allan, Bernard; Lledó, Agustí; Verdaguer, Xavier; Riera, Antoni The conjugate addition–Peterson olefination reaction for the preparation of cross-conjugated cyclopentenone, PPAR-γ ligands Organic & Biomolecular Chemistry, 2008, 6, 4649-4661 |
| 7151120 | CIF | C24 H28 F2 O9 | P b c n | 13.7696; 8.3551; 20.4951 90; 90; 90 | 2357.89 | Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy. Organic & biomolecular chemistry, 2007, 5, 2464-2471 |
| 7151139 | CIF | C19 H21 N O6 | P b c n | 14.913; 15.95; 14.25 90; 90; 90 | 3389.5 | Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G. Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata. Organic & biomolecular chemistry, 2007, 5, 2983-2991 |
| 7151159 | CIF | C12 H12 Br N O2 S | P b c n | 16.5525; 10.1393; 14.0826 90; 90; 90 | 2363.49 | Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S. One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams. Organic & biomolecular chemistry, 2007, 5, 3472-3476 |
| 7151215 | CIF | C20 H14 I3 N O | P b c n | 17.213; 14.912; 15.658 90; 90; 90 | 4019.1 | Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives. Organic & biomolecular chemistry, 2006, 4, 2106-2118 |
| 7151252 | CIF | C24 H18 N6 O | P b c n | 13.111; 10.123; 14.928 90; 90; 90 | 1981.3 | Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance. Organic & biomolecular chemistry, 2006, 4, 3652-3663 |
| 7151332 | CIF | C45 H30 N4 Ni O2 | P b c n | 17.0768; 14.1377; 27.7514 90; 90; 90 | 6699.9 | Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement Organic & Biomolecular Chemistry, 2006, 4, 4059 |
| 7151333 | CIF | C45 H30 Cu N4 O2 | P b c n | 17.074; 14.209; 27.882 90; 90; 90 | 6764.3 | Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement Organic & Biomolecular Chemistry, 2006, 4, 4059 |
| 7151968 | CIF | C32 H42 N O2 P Si | P b c n | 46.284; 12.2793; 11.1201 90; 90; 90 | 6319.9 | Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions. Organic & biomolecular chemistry, 2011, 9, 6246-6255 |
| 7152234 | CIF | C66 H100 Ag2 F12 O16 P2 | P b c n | 14.6967; 21.036; 23.8819 90; 90; 90 | 7383.3 | Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films. Organic & biomolecular chemistry, 2012, 10, 2019-2025 |
| 7152330 | CIF | C59 H78 Cl2 O10 | P b c n | 42.526; 15.758; 16.686 90; 90; 90 | 11182 | Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces. Organic & biomolecular chemistry, 2012, 10, 3393-3397 |
| 7152601 | CIF | C28 H30 O | P b c n | 7.6851; 16.8705; 16.3611 90; 90; 90 | 2121.24 | Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen. Organic & biomolecular chemistry, 2012, 10, 7062-7069 |
| 7152904 | CIF | C14 H20 N2 O2 | P b c n | 15.663; 8.2891; 21.056 90; 90; 90 | 2733.7 | Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian A concise approach to the spiroiminal fragment of marineosins. Organic & biomolecular chemistry, 2013, 11, 2936-2938 |
| 7152925 | CIF | C11 H19 N O2 | P b c n | 9.7809; 11.4606; 20.8757 90; 90; 90 | 2340.06 | Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A. Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment. Organic & biomolecular chemistry, 2013, 11, 3484-3493 |
| 7153432 | CIF | C7 H5 N O2 | P b c n | 5.1445; 14.134; 8.0639 90; 90; 90 | 586.35 | McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G. Pyrrolizine-1,3-dione. Organic & biomolecular chemistry, 2010, 8, 4383-4387 |
| 7153511 | CIF | C18 H29 N O9 | P b c n | 15.652; 10.174; 28.07 90; 90; 90 | 4470 | Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols. Organic & biomolecular chemistry, 2010, 8, 5628-5634 |
| 7153712 | CIF | C38 H28 N4 O4 | P b c n | 23.3123; 14.7753; 18.256 90; 90; 90 | 6288.21 | Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. Organic & biomolecular chemistry, 2014, 12, 2784-2791 |
| 7154509 | CIF | C17 H11 Cl2 N | P b c n | 21.3422; 8.1975; 8.0145 90; 90; 90 | 1402.16 | Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine. Organic & biomolecular chemistry, 2015, 13, 6832-6838 |
| 7154549 | CIF | C19 H17 B Br Cl2 F2 N3 O2 | P b c n | 14.8291; 12.6719; 21.3493 90; 90; 90 | 4011.81 | Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki Lysosome targeting fluorescence probe for imaging intracellular thiols. Organic & biomolecular chemistry, 2015, 13, 8163-8168 |
| 7154826 | CIF | C8 H12 F4 O | P b c n | 18.859; 10.647; 8.927 90; 90; 90 | 1792 | Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes. Organic & biomolecular chemistry, 2016, 14, 1117-1123 |
| 7155036 | CIF | C20 H14 N4 | P b c n | 11.1295; 11.4081; 12.1912 90; 90; 90 | 1547.9 | Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study. Organic & biomolecular chemistry, 2016, 14, 3793-3808 |
| 7155403 | CIF | C16 H10 Cl2 N2 O2 | P b c n | 13.5987; 7.2344; 13.7418 90; 90; 90 | 1351.9 | Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján Twisting the ethano-Tröger's base: the bisamide. Organic & biomolecular chemistry, 2017, 15, 628-633 |
| 7155507 | CIF | C17 H12 N2 O3 | P b c n | 25.356; 6.9395; 7.4967 90; 90; 90 | 1319.1 | Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis. Organic & biomolecular chemistry, 2017, 15, 2784-2790 |
| 7155549 | CIF | C18 H18 N2 O3 | P b c n | 13.8048; 15.2327; 15.2102 90; 90; 90 | 3198.47 | Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones. Organic & biomolecular chemistry, 2017, 15, 3638-3647 |
| 7155630 | CIF | C16 H16 O2 | P b c n | 15.81826; 9.23296; 8.32936 90; 90; 90 | 1216.5 | Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides Org. Biomol. Chem., 2017 |
| 7155970 | CIF | C24 H22 N2 O4 | P b c n | 19.2545; 15.5146; 13.4314 90; 90; 90 | 4012.3 | Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols Organic & Biomolecular Chemistry, 2017 |
| 7156283 | CIF | C10 H10 F2 N4 O8 | P b c n | 12.1505; 10.471; 10.2881 90; 90; 90 | 1308.9 | Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues. Organic & biomolecular chemistry, 2018, 16, 4784-4788 |
| 7156359 | CIF | C23 H14 O2 | P b c n | 9.1068; 13.5461; 26.1677 90; 90; 90 | 3228.1 | Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes. Organic & biomolecular chemistry, 2018, 16, 6077-6085 |
| 7156506 | CIF | C6 H6 N8 O2 | P b c n | 8.0308; 7.8229; 12.8172 90; 90; 90 | 805.23 | Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties. Organic & biomolecular chemistry, 2018, 16, 8034-8037 |
| 7156599 | CIF | C16 H12 Br N | P b c n | 13.856; 6.4827; 28.807 90; 90; 90 | 2587.6 | Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T. Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes. Organic & biomolecular chemistry, 2019, 17, 347-353 |
| 7156601 | CIF | C16 H12 Br N | P b c n | 13.856; 6.4827; 28.807 90; 90; 90 | 2587.6 | Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates. Organic & biomolecular chemistry, 2019, 17, 283-289 |
| 7156918 | CIF | C26 H24 O4 | P b c n | 11.9937; 11.8843; 30.2028 90; 90; 90 | 4305 | Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction. Organic & biomolecular chemistry, 2019, 17, 6620-6628 |
| 7157529 | CIF | C17 H17 F3 O2 | P b c n | 24.336; 7.1684; 16.7513 90; 90; 90 | 2922.3 | Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers. Organic & biomolecular chemistry, 2020, 18, 4638-4644 |
| 7157644 | CIF | C21 H16 N2 O4 | P b c n | 17.6367; 13.5661; 14.5573 90; 90; 90 | 3483 | Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul <i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions. Organic & biomolecular chemistry, 2020, 18, 6537-6548 |
| 7157735 | CIF | C40 H52 O11 | P b c n | 17.1752; 8.82114; 24.8611 90; 90; 90 | 3766.58 | Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C. Functionalized fluorescent terephthalate monomers and their attempted polyester formation. Organic & biomolecular chemistry, 2020, 18, 8735-8745 |
| 7157812 | CIF | C8 H10 O4 S2 | P b c n | 10.1116; 12.9234; 7.4954 90; 90; 90 | 979.47 | Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru <i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry, 2021, 19, 446-456 |
| 7157910 | CIF | C22 H19 Br N4 O4 | P b c n | 23.3635; 9.5879; 17.6817 90; 90; 90 | 3960.82 | Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone. Organic & biomolecular chemistry, 2021, 19, 2716-2724 |
| 7158011 | CIF | C23 H26 N2 | P b c n | 14.1551; 9.5932; 13.369 90; 90; 90 | 1815.41 | Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor. Organic & biomolecular chemistry, 2021, 19, 4076-4081 |
| 7158045 | CIF | C42 H20 Cl8 F4 O4 Sb2 | P b c n | 11.179; 18.388; 19.517 90; 90; 90 | 4011.9 | You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation. Organic & biomolecular chemistry, 2021, 19, 4949-4957 |
| 7158262 | CIF | C33 H32 O | P b c n | 36.302; 17.985; 8.873 90; 90; 90 | 5793 | Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals. Organic & biomolecular chemistry, 2021, 19, 7883-7893 |
| 7158511 | CIF | C20 H14 Br N3 O | P b c n | 19.5352; 14.0585; 13.9778 90; 90; 90 | 3838.8 | Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles. Organic & biomolecular chemistry, 2022, 20, 2069-2074 |
| 7158917 | CIF | C34 H28 N2 O4 S | P b c n | 13.785; 14.0217; 29.4717 90; 90; 90 | 5696.6 | Dehghanpour Kalan, Reza; Amiri, Kamran; Rominger, Frank -; Balalaie, Saeed; Bijanzadeh, Hamid Reza Regio- and diastereoselective transition metal-free hydroalkylation of N-allenyl sulfonamides by push-pull 2-alkynylquinolines Organic & Biomolecular Chemistry, 2022 |
| 7158923 | CIF | C28 H24 N2 O5 | P b c n | 7.4851; 11.8514; 25.8916 90; 90; 90 | 2296.82 | Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J. Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles Organic & Biomolecular Chemistry, 2022 |
| 7158926 | CIF | C52 H50 N6 O10 | P b c n | 17.0998; 18.8164; 29.2275 90; 90; 90 | 9404.1 | Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J. Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles Organic & Biomolecular Chemistry, 2022 |
| 7159080 | CIF | C245.7 H233.7 Cl23.69 N40 O42 | P b c n | 25.12; 27.45; 40.02 90; 90; 90 | 27596 | Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds. Organic & biomolecular chemistry, 2023, 21, 1275-1283 |
| 7159717 | CIF | C11 H16 O3 | P b c n | 13.5552; 7.1623; 23.1013 90; 90; 90 | 2242.82 | Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B. Two-step, high-yielding total synthesis of antibiotic pyrones. Organic & biomolecular chemistry, 2024, 22, 554-560 |
| 7159735 | CIF | C28 H31 F2 N Si | P b c n | 19.9358; 15.8356; 15.2943 90; 90; 90 | 4828.34 | Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents. Organic & biomolecular chemistry, 2024, 22, 1047-1056 |
| 7159861 | CIF | C24 H20 N2 O7 S2 | P b c n | 15.7; 11.2137; 13.4533 90; 90; 90 | 2368.5 | Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K. Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes. Organic & biomolecular chemistry, 2024, 22, 3045-3052 |
| 7160738 | CIF | C45 H36 O4 | P b c n | 34.0625; 15.8412; 29.0629 90; 90; 90 | 15682.1 | Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction. Organic & biomolecular chemistry, 2025, 23, 9330-9335 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

