Crystallography Open Database

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Searching journal of publication like 'The Journal of organic chemistry' volume of publication is 77

COD ID: 4026818
CIF file Formula: - C26 H28 -
Comments: Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane Journal of Organic Chemistry 77 (2012) 57-67
Space group: P 1 21/c 1
Cell volume: 3661
Cell parameters: 9.799; 34.783; 13.065; 90; 124.708; 90;  

COD ID: 4026819
CIF file Formula: - C26 H28 -
Comments: Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane Journal of Organic Chemistry 77 (2012) 57-67
Space group: P -1
Cell volume: 917.3
Cell parameters: 7.3519; 10.559; 12.901; 73.766; 73.458; 80.23;  

COD ID: 4026820
CIF file Formula: - C28 H18 B F2 N3 S2 -
Comments: Xinfu Zhang; Haibo Yu; Yi Xiao Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes Journal of Organic Chemistry 77 (2012) 669-673
Space group: P n a 21
Cell volume: 2355.7
Cell parameters: 10.776; 12.517; 17.465; 90; 90; 90;  

COD ID: 4026821
CIF file Formula: - C48 H28 B2 F4 N6 S8 -
Comments: Xinfu Zhang; Haibo Yu; Yi Xiao Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes Journal of Organic Chemistry 77 (2012) 669-673
Space group: P c a 21
Cell volume: 4566
Cell parameters: 12.984; 16.31; 21.56; 90; 90; 90;  

COD ID: 4026822
CIF file Formula: - C20 H27 I O6 -
Comments: Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis Journal of Organic Chemistry 77 (2012) 96-107
Space group: C 1 2 1
Cell volume: 2102.12
Cell parameters: 26.3811; 6.9702; 11.4961; 90; 96.058; 90;  

COD ID: 4026823
CIF file Formula: - C20 H27 I O6 -
Comments: Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis Journal of Organic Chemistry 77 (2012) 96-107
Space group: P 1 21 1
Cell volume: 2143.68
Cell parameters: 12.6964; 10.2021; 16.7996; 90; 99.8944; 90;  

COD ID: 4026824
CIF file Formula: - C20 H26 O6 -
Comments: Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis Journal of Organic Chemistry 77 (2012) 96-107
Space group: P 21 21 21
Cell volume: 1897.22
Cell parameters: 5.3633; 11.0398; 32.0423; 90; 90; 90;  

COD ID: 4026825
CIF file Formula: - C26 H25 N O4 S -
Comments: James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules Journal of Organic Chemistry 77 (2012) 160-172
Space group: C 1 c 1
Cell volume: 4463
Cell parameters: 19.9932; 19.5534; 12.3256; 90; 112.147; 90;  

COD ID: 4026826
CIF file Formula: - C35 H33 Br2 N3 O4 -
Comments: James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules Journal of Organic Chemistry 77 (2012) 160-172
Space group: P 1 21/c 1
Cell volume: 3114.11
Cell parameters: 14.634; 16.3527; 13.0268; 90; 92.626; 90;  

COD ID: 4026827
CIF file Formula: - C22 H19 N O4 -
Comments: James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules Journal of Organic Chemistry 77 (2012) 160-172
Space group: C 1 c 1
Cell volume: 1763.8
Cell parameters: 16.7047; 10.6314; 10.7298; 90; 112.237; 90;  

COD ID: 4026828
CIF file Formula: - C24 H10 N2 -
Comments: Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library Journal of Organic Chemistry 77 (2012) 126-142
Space group: C 1 2/c 1
Cell volume: 1626.69
Cell parameters: 20.283; 11.0569; 7.3888; 90; 100.988; 90;  

COD ID: 4026829
CIF file Formula: - C24 H10 N2 -
Comments: Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library Journal of Organic Chemistry 77 (2012) 126-142
Space group: P 1 21/c 1
Cell volume: 1615.24
Cell parameters: 7.9834; 19.6905; 11.172; 90; 113.113; 90;  

COD ID: 4026830
CIF file Formula: - C15 H20 N3 O6 P -
Comments: Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry Journal of Organic Chemistry 77 (2012) 684-689
Space group: P 21 21 21
Cell volume: 1660.8
Cell parameters: 6.9562; 6.9956; 34.129; 90; 90; 90;  

COD ID: 4026831
CIF file Formula: - C15 H16 N5 O4 P -
Comments: Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry Journal of Organic Chemistry 77 (2012) 684-689
Space group: P 1 21 1
Cell volume: 856.5
Cell parameters: 8.2341; 8.3291; 12.9089; 90; 104.66; 90;  

COD ID: 4026832
CIF file Formula: - C15 H16 N5 O4 P -
Comments: Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry Journal of Organic Chemistry 77 (2012) 684-689
Space group: P 1 21 1
Cell volume: 1577.4
Cell parameters: 5.7894; 43.207; 6.81; 90; 112.184; 90;  

COD ID: 4026833
CIF file Formula: - C29 H34 N2 O3 S -
Comments: Yongda Zhang; Sampada Chitale; Navneet Goyal; Guisheng Li; Zhengxu S. Han; Sherry Shen; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake Asymmetric Synthesis of Sulfinamides Using (-)-Quinine as Chiral Auxiliary Journal of Organic Chemistry 77 (2012) 690-695
Space group: P 1 21 1
Cell volume: 1257.4
Cell parameters: 12.7315; 7.0769; 13.982; 90; 93.502; 90;  

COD ID: 4026834
CIF file Formula: - C14 H17 Cl N4 O2 S -
Comments: Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds Journal of Organic Chemistry 77 (2012) 243-252
Space group: P 1 21/c 1
Cell volume: 1595.55
Cell parameters: 10.7148; 20.2974; 7.5927; 90; 104.928; 90;  

COD ID: 4026835
CIF file Formula: - C14 H17 Cl N4 O2 S -
Comments: Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds Journal of Organic Chemistry 77 (2012) 243-252
Space group: P 1 21/n 1
Cell volume: 1560.91
Cell parameters: 7.4207; 17.8547; 11.9918; 90; 100.761; 90;  

COD ID: 4026836
CIF file Formula: - C17 H16 O4 -
Comments: Leire Arias; Yosu Vara; Fernando P. Cossío Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones Journal of Organic Chemistry 77 (2012) 266-275
Space group: P -1
Cell volume: 1419.4
Cell parameters: 10.0851; 10.1437; 15.5003; 71.158; 71.357; 87.168;  

COD ID: 4026837
CIF file Formula: - C17 H16 O4 -
Comments: Leire Arias; Yosu Vara; Fernando P. Cossío Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones Journal of Organic Chemistry 77 (2012) 266-275
Space group: P -1
Cell volume: 695.13
Cell parameters: 7.2747; 8.8758; 11.9601; 109.342; 105.211; 92.871;  

COD ID: 4026838
CIF file Formula: - C26 H21 Cl N2 O4 -
Comments: Yi-Bo Nie; Long Wang; Ming-Wu Ding Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles by a Sequential Aza-Wittig/Michael/Isomerization Reaction Journal of Organic Chemistry 77 (2012) 696-700
Space group: P -1
Cell volume: 1137.2
Cell parameters: 10.432; 10.465; 11.533; 90.692; 108.767; 106.266;  

COD ID: 4026839
CIF file Formula: - C14 H11 N O3 -
Comments: Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR Journal of Organic Chemistry 77 (2012) 285-290
Space group: C 1 2/c 1
Cell volume: 2186.3
Cell parameters: 24.35; 4.8391; 19.731; 90; 109.888; 90;  

COD ID: 4026840
CIF file Formula: - C13 H9 N O3 -
Comments: Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR Journal of Organic Chemistry 77 (2012) 285-290
Space group: P 1 21/c 1
Cell volume: 1072.8
Cell parameters: 16.301; 4.863; 13.818; 90; 101.652; 90;  

COD ID: 4026841
CIF file Formula: - C23 H24 Cl2 N2 O4 -
Comments: Xianyou Peng; Peijun Li; Yian Shi Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation Journal of Organic Chemistry 77 (2012) 701-703
Space group: P 21 21 21
Cell volume: 2289.6
Cell parameters: 6.959; 17.159; 19.174; 90; 90; 90;  

COD ID: 4026842
CIF file Formula: - C66 H56 -
Comments: Bharat Kumar; Christoph E. Strasser; Benjamin T. King t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons Journal of Organic Chemistry 77 (2012) 311-316
Space group: R -3 :H
Cell volume: 10852
Cell parameters: 27.8608; 27.8608; 16.1433; 90; 90; 120;  

COD ID: 4026843
CIF file Formula: - C68 H80 O -
Comments: Bharat Kumar; Christoph E. Strasser; Benjamin T. King t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons Journal of Organic Chemistry 77 (2012) 311-316
Space group: P 1 21/c 1
Cell volume: 5282.72
Cell parameters: 10.3497; 18.0455; 28.4735; 90; 96.591; 90;  

COD ID: 4026844
CIF file Formula: - C82 H121 Li2 O5.5 Zr -
Comments: Bharat Kumar; Christoph E. Strasser; Benjamin T. King t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons Journal of Organic Chemistry 77 (2012) 311-316
Space group: P b c a
Cell volume: 15182.5
Cell parameters: 24.3175; 22.5604; 27.6744; 90; 90; 90;  

COD ID: 4026845
CIF file Formula: - C84 H82 Br2 -
Comments: Bharat Kumar; Christoph E. Strasser; Benjamin T. King t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons Journal of Organic Chemistry 77 (2012) 311-316
Space group: P -1
Cell volume: 3184.6
Cell parameters: 14.406; 15.0572; 15.9486; 72.458; 77.005; 78.846;  

COD ID: 4026846
CIF file Formula: - C27 H30 Cl2 N O P Pd -
Comments: Étienne Bélanger; Marie-France Pouliot; Marc-André Courtemanche; Jean-François Paquin Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates Journal of Organic Chemistry 77 (2012) 317-331
Space group: P 21 21 21
Cell volume: 2562.7
Cell parameters: 8.9649; 10.4999; 27.225; 90; 90; 90;  

COD ID: 4026847
CIF file Formula: - C20 H20 S2 -
Comments: Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes Journal of Organic Chemistry 77 (2012) 332-340
Space group: P 1 21/c 1
Cell volume: 3360.5
Cell parameters: 16.6382; 13.2364; 15.3904; 90; 97.49; 90;  

COD ID: 4026848
CIF file Formula: - C20 H20 S2 -
Comments: Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes Journal of Organic Chemistry 77 (2012) 332-340
Space group: P 1 21/c 1
Cell volume: 1692.1
Cell parameters: 8.3268; 13.2672; 15.4463; 90; 97.4242; 90;  

COD ID: 4026849
CIF file Formula: - C27 H29 N O9 S2 -
Comments: Wen-Ju Bai; Jason C. Green; Thomas R. R. Pettus Total Syntheses of ent-Heliespirones A and C Journal of Organic Chemistry 77 (2012) 379-387
Space group: P 21 21 21
Cell volume: 2665.8
Cell parameters: 7.0911; 10.8032; 34.798; 90; 90; 90;  

COD ID: 4026850
CIF file Formula: - C15 H19 N O5 -
Comments: Shanbao Yu; Qing-Qing Huang; Yu Luo; Wei Lu Total Synthesis of Camptothecin and SN-38 Journal of Organic Chemistry 77 (2012) 713-717
Space group: P 1 21 1
Cell volume: 734.51
Cell parameters: 7.0653; 8.3781; 12.8601; 90; 105.228; 90;  

COD ID: 4026851
CIF file Formula: - C37 H48 O6 Si -
Comments: Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues Journal of Organic Chemistry 77 (2012) 388-399
Space group: P 21 21 21
Cell volume: 3384
Cell parameters: 7.7761; 11.0405; 39.4167; 90; 90; 90;  

COD ID: 4026852
CIF file Formula: - C18 H18 O2 Se -
Comments: Badaker M. Laloo; Hormi Mecadon; Md. Rumum Rohman; Iadeishisha Kharbangar; Icydora Kharkongor; Mantu Rajbangshi; Rishanlang Nongkhlaw; Bekington Myrboh Reaction of Selenium Dioxide with Aromatic Ketones in the Presence of Boron Triflouride Etherate: A Protocol for the Synthesis of Triarylethanones Journal of Organic Chemistry 77 (2012) 707-712
Space group: P 1 21/c 1
Cell volume: 1557.1
Cell parameters: 9.713; 14.82; 11.4273; 90; 108.803; 90;  

COD ID: 4026853
CIF file Formula: - C20 H25 Al O -
Comments: Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama Aluminepin: Aluminum Analogues of Borepin and Gallepin Journal of Organic Chemistry 77 (2012) 729-732
Space group: P 1 c 1
Cell volume: 1768.43
Cell parameters: 9.5556; 13.4123; 14.4803; 90; 107.654; 90;  

COD ID: 4026854
CIF file Formula: - C36 H24 O12 -
Comments: Miroslav Dudič; Ivana Císařová; Josef Michl Synthesis of Hexadehydrotribenzo[a,e,i][12]annulenes by Acetylene Insertion into an Open-Chain Precursor Journal of Organic Chemistry 77 (2012) 68-74
Space group: P 1 21/c 1
Cell volume: 14961.4
Cell parameters: 26.5365; 32.739; 17.4054; 90; 98.344; 90;  

COD ID: 4026855
CIF file Formula: - C16 H16 O -
Comments: Prasad Ganji; Hasim Ibrahim Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes Journal of Organic Chemistry 77 (2012) 511-518
Space group: P -1
Cell volume: 287.41
Cell parameters: 5.7182; 5.9604; 8.6336; 96.773; 92.481; 99.717;  

COD ID: 4026856
CIF file Formula: - C22 H15 Cl N2 -
Comments: Shaukat Ali; Ying-Xiu Li; Saeed Anwar; Fang Yang; Zi-Sheng Chen; Yong-Min Liang One-Pot Access to Indolo[2,3-b]quinolines by Electrophile-Triggered Cross-Amination/Friedel-Crafts Alkylation of Indoles with 1-(2-Tosylaminophenyl)ketones Journal of Organic Chemistry 77 (2012) 424-431
Space group: P 1 21/n 1
Cell volume: 1685
Cell parameters: 10.668; 7.081; 22.36; 90; 93.847; 90;  

COD ID: 4026857
CIF file Formula: - C50 H56 O8 -
Comments: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps Journal of Organic Chemistry 77 (2012) 482-489
Space group: P -1
Cell volume: 2164.9
Cell parameters: 11.1092; 12.5174; 16.9785; 74.609; 73.57; 78.747;  

COD ID: 4026858
CIF file Formula: - C50 H56 O8 -
Comments: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps Journal of Organic Chemistry 77 (2012) 482-489
Space group: P -1
Cell volume: 1058.38
Cell parameters: 7.2962; 9.4; 16.2416; 85.924; 84.034; 72.977;  

COD ID: 4026859
CIF file Formula: - C25 H28 O4 -
Comments: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps Journal of Organic Chemistry 77 (2012) 482-489
Space group: F d d 2
Cell volume: 4321.7
Cell parameters: 7.2615; 23.068; 25.8; 90; 90; 90;  

COD ID: 4026860
CIF file Formula: - C27 H22 O2 -
Comments: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps Journal of Organic Chemistry 77 (2012) 482-489
Space group: P 1 21/c 1
Cell volume: 2092.2
Cell parameters: 9.4735; 19.451; 11.74; 90; 104.73; 90;  

COD ID: 4026861
CIF file Formula: - C54 H44 O4 -
Comments: Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps Journal of Organic Chemistry 77 (2012) 482-489
Space group: P 1 21/c 1
Cell volume: 4039.99
Cell parameters: 9.4276; 17.4034; 24.8191; 90; 97.203; 90;  

COD ID: 4026862
CIF file Formula: - C23 H25 Cl O4 -
Comments: Jacqueline Jiménez; Aitor Landa; Aitziber Lizarraga; Miguel Maestro; Antonia Mielgo; Mikel Oiarbide; Irene Velilla; Claudio Palomo Enantio- and Diastereoselective Organocatalytic α-Alkylation of Aldehydes with 3-Substituted 2-(Bromomethyl)acrylates Journal of Organic Chemistry 77 (2012) 747-753
Space group: P 1 21 1
Cell volume: 995.8
Cell parameters: 12.4209; 5.64; 14.3079; 90; 96.562; 90;  

COD ID: 4026863
CIF file Formula: - C41 H51.17 N5 O14.33 P2.5 -
Comments: Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar Fluorescent Acridine-Based Receptors for H2PO4- Journal of Organic Chemistry 77 (2012) 490-500
Space group: R 3 :H
Cell volume: 9689.7
Cell parameters: 30.4865; 30.4865; 12.0383; 90; 90; 120;  

COD ID: 4026864
CIF file Formula: - C12 H24 B2 O4 -
Comments: Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State Journal of Organic Chemistry 77 (2012) 785-789
Space group: P 1 21/c 1
Cell volume: 732.73
Cell parameters: 10.2834; 7.4809; 10.1672; 90; 110.478; 90;  

COD ID: 4026865
CIF file Formula: - C34 H56 B2 N2 O4 -
Comments: Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State Journal of Organic Chemistry 77 (2012) 785-789
Space group: P 1 21/c 1
Cell volume: 3362
Cell parameters: 10.3682; 16.4505; 19.7145; 90; 91.028; 90;  

COD ID: 4026866
CIF file Formula: - C28 H60 B O4 P -
Comments: Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State Journal of Organic Chemistry 77 (2012) 785-789
Space group: P 1 2/n 1
Cell volume: 3136.2
Cell parameters: 16.6584; 10.492; 19.4579; 90; 112.753; 90;  

COD ID: 4026867
CIF file Formula: - C15 H20 O5 -
Comments: Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones Journal of Organic Chemistry 77 (2012) 543-555
Space group: P 21 21 21
Cell volume: 1443.81
Cell parameters: 5.8808; 11.1665; 21.9865; 90; 90; 90;  

COD ID: 4026868
CIF file Formula: - C17 H18 O5 -
Comments: Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation Journal of Organic Chemistry 77 (2012) 772-774
Space group: C 1 2 1
Cell volume: 1493
Cell parameters: 23.18; 5.353; 12.036; 90; 90.93; 90;  

COD ID: 4026869
CIF file Formula: - C27 H23 Br N2 O3 S2 -
Comments: Alma Viso; Roberto Fernández de la Pradilla; Mercedes Ureña; Robert H. Bates; Miguel A. del Águila; Ignacio Colomer An Approach to the Stereoselective Synthesis of Enantiopure Dihydropyrroles and Aziridines from a Common Sulfinyl-Sulfinamide Intermediate Journal of Organic Chemistry 77 (2012) 525-542
Space group: P 21 21 21
Cell volume: 2578.05
Cell parameters: 9.5539; 11.8301; 22.8098; 90; 90; 90;  

COD ID: 4026870
CIF file Formula: - C11 H18 O2 -
Comments: Hung-Yi Lee; Chin-Kang Sha Stereoselective Total Synthesis of (±)-Peribysin E Journal of Organic Chemistry 77 (2012) 598-605
Space group: P b c a
Cell volume: 4089.23
Cell parameters: 8.9673; 18.5999; 24.5171; 90; 90; 90;  

COD ID: 4026871
CIF file Formula: - C21 H34 O4 Si -
Comments: Hung-Yi Lee; Chin-Kang Sha Stereoselective Total Synthesis of (±)-Peribysin E Journal of Organic Chemistry 77 (2012) 598-605
Space group: P -1
Cell volume: 1085.3
Cell parameters: 6.5778; 9.9611; 16.789; 85.436; 84.148; 83.784;  

COD ID: 4026872
CIF file Formula: - C22 H38 O4 Si -
Comments: Hung-Yi Lee; Chin-Kang Sha Stereoselective Total Synthesis of (±)-Peribysin E Journal of Organic Chemistry 77 (2012) 598-605
Space group: P -1
Cell volume: 1136.18
Cell parameters: 6.8505; 9.2832; 18.4577; 77.288; 84.422; 84.451;  

COD ID: 4026873
CIF file Formula: - C16 H23 Cl3 O4 -
Comments: Hung-Yi Lee; Chin-Kang Sha Stereoselective Total Synthesis of (±)-Peribysin E Journal of Organic Chemistry 77 (2012) 598-605
Space group: P 4/n :2
Cell volume: 4213.4
Cell parameters: 19.8762; 19.8762; 10.665; 90; 90; 90;  

COD ID: 4026874
CIF file Formula: - C12 H16 N4 O4 -
Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611
Space group: P 1 21/c 1
Cell volume: 1244.5
Cell parameters: 8.402; 11.908; 13.721; 90; 114.964; 90;  

COD ID: 4026875
CIF file Formula: - C11 H14 N4 O4 -
Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611
Space group: P n m a
Cell volume: 1151.65
Cell parameters: 12.4218; 11.3954; 8.1359; 90; 90; 90;  

COD ID: 4026876
CIF file Formula: - C13 H18 N4 O6 -
Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611
Space group: P n n 2
Cell volume: 696.68
Cell parameters: 10.0897; 10.5987; 6.5148; 90; 90; 90;  

COD ID: 4026877
CIF file Formula: - C135 H258 Cl6 K6 N60 O87 -
Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611
Space group: P 1 21/c 1
Cell volume: 19696.9
Cell parameters: 20.2298; 33.2253; 29.4252; 90; 95.186; 90;  

COD ID: 4026878
CIF file Formula: - C116 H208 N48 O61 -
Comments: Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family Journal of Organic Chemistry 77 (2012) 606-611
Space group: P 1 21/c 1
Cell volume: 3640.4
Cell parameters: 12.6912; 12.5739; 23.0762; 90; 98.67; 90;  

COD ID: 4026879
CIF file Formula: - C12 H4 F18 N4 O -
Comments: Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk "Reported, but Still Unknown." A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles Journal of Organic Chemistry 77 (2012) 47-56
Space group: P -1
Cell volume: 941.73
Cell parameters: 9.0544; 9.442; 11.9252; 92.914; 101.077; 108.534;  

COD ID: 4026880
CIF file Formula: - C5 H2 F6 N2 -
Comments: Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk "Reported, but Still Unknown." A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles Journal of Organic Chemistry 77 (2012) 47-56
Space group: P 1 21/n 1
Cell volume: 4140
Cell parameters: 16.463; 12.5288; 21.5826; 90; 111.568; 90;  

COD ID: 4026881
CIF file Formula: - C27 H26 Br N O -
Comments: Kyoung Hee Kang; Junghwan Do; Yong Sun Park Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives Journal of Organic Chemistry 77 (2012) 808-812
Space group: P 1 21 1
Cell volume: 1175.6
Cell parameters: 9.4945; 10.87; 12.264; 90; 111.75; 90;  

COD ID: 4026882
CIF file Formula: - C19 H24 O4 -
Comments: Jens Cordes; Frederick Calo; Katie Anderson; Toni Pfaffeneder; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett Total Syntheses of Angelicoin A, Hericenone J, and Hericenol A via Migratory Prenyl- and Geranylation-Aromatization Sequences Journal of Organic Chemistry 77 (2012) 652-657
Space group: P 1 21/c 1
Cell volume: 1682.65
Cell parameters: 7.8863; 23.7456; 9.0571; 90; 97.213; 90;  

COD ID: 4026883
CIF file Formula: - C33 H22 Fe N2 O4 -
Comments: Li-Jun Chen; Quan-Jie Li; Jiuming He; Hongwei Tan; Zeper Abliz; Hai-Bo Yang Design and Construction of Endo-Functionalized Multiferrocenyl Hexagons via Coordination-Driven Self-Assembly and Their Electrochemistry Journal of Organic Chemistry 77 (2012) 1148-1153
Space group: P 1 21/c 1
Cell volume: 5221.6
Cell parameters: 25.4291; 10.2386; 20.0586; 90; 91.039; 90;  

COD ID: 4026884
CIF file Formula: - C19 H11 Br N2 O3 -
Comments: Gen Zhang; Yaohu Zhang; Jiexi Yan; Ru Chen; Shoulei Wang; Yunxia Ma; Rui Wang One-Pot Enantioselective Synthesis of Functionalized Pyranocoumarins and 2-Amino-4H-chromenes: Discovery of a Type of Potent Antibacterial Agent Journal of Organic Chemistry 77 (2012) 878-888
Space group: P -1
Cell volume: 871
Cell parameters: 8.009; 11.045; 11.59; 113.247; 105.854; 97.89;  

COD ID: 4026885
CIF file Formula: - C35 H33 Br N4 O2 S -
Comments: Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi Three Rhodamine-Based "Off-On" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells Journal of Organic Chemistry 77 (2012) 1143-1147
Space group: P 1 21/c 1
Cell volume: 3069.9
Cell parameters: 16.2504; 12.0239; 18.9598; 90; 124.038; 90;  

COD ID: 4026886
CIF file Formula: - C37 H36 N6 O4 S -
Comments: Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi Three Rhodamine-Based "Off-On" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells Journal of Organic Chemistry 77 (2012) 1143-1147
Space group: P -1
Cell volume: 1708.1
Cell parameters: 9.654; 12.011; 15.321; 101.696; 90.916; 100.475;  

COD ID: 4026887
CIF file Formula: - C36 H36 N4 O3 S -
Comments: Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi Three Rhodamine-Based "Off-On" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells Journal of Organic Chemistry 77 (2012) 1143-1147
Space group: P 1 21/n 1
Cell volume: 3097.2
Cell parameters: 16.253; 12.018; 16.937; 90; 110.58; 90;  

COD ID: 4026888
CIF file Formula: - C36 H36 Cl3 Fe N4 O3 S -
Comments: Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi Three Rhodamine-Based "Off-On" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells Journal of Organic Chemistry 77 (2012) 1143-1147
Space group: P 1 21/n 1
Cell volume: 3606.6
Cell parameters: 12.412; 16.298; 17.833; 90; 91.209; 90;  

COD ID: 4026889
CIF file Formula: - C19 H25 N O7 -
Comments: Gen Onodera; Mari Suto; Ryo Takeuchi Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates Journal of Organic Chemistry 77 (2012) 908-920
Space group: P 1 21/n 1
Cell volume: 1856.3
Cell parameters: 10.6629; 11.7766; 15.3061; 90; 105.025; 90;  

COD ID: 4026890
CIF file Formula: - C13 H17 N O3 -
Comments: Gen Onodera; Mari Suto; Ryo Takeuchi Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates Journal of Organic Chemistry 77 (2012) 908-920
Space group: P 1 21/c 1
Cell volume: 1205.7
Cell parameters: 9.3754; 11.161; 11.962; 90; 105.572; 90;  

COD ID: 4026891
CIF file Formula: - C21 H23 N O6 -
Comments: Gen Onodera; Mari Suto; Ryo Takeuchi Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates Journal of Organic Chemistry 77 (2012) 908-920
Space group: P 1 21 1
Cell volume: 2048.33
Cell parameters: 13.9836; 8.2614; 17.967; 90; 99.302; 90;  

COD ID: 4026892
CIF file Formula: - C20 H18 O2 -
Comments: Soo J. Park; Jason R. Price; Matthew H. Todd Oxidative Arylation of Isochroman Journal of Organic Chemistry 77 (2012) 949-955
Space group: P 1 21/c 1
Cell volume: 1471.8
Cell parameters: 11.606; 18.287; 7.1396; 90; 103.762; 90;  

COD ID: 4026893
CIF file Formula: - C20 H17 Br O2 -
Comments: Soo J. Park; Jason R. Price; Matthew H. Todd Oxidative Arylation of Isochroman Journal of Organic Chemistry 77 (2012) 949-955
Space group: P -1
Cell volume: 2412.53
Cell parameters: 9.7507; 10.7237; 24.61; 96.602; 96.2797; 107.296;  

COD ID: 4026894
CIF file Formula: - C17 H25 N5 O3 S -
Comments: Orazio A. Attanasi; Silvia Bartoccini; Gianfranco Favi; Gianluca Giorgi; Francesca Romana Perrulli; Stefania Santeusanio Powerful Approach to Heterocyclic Skeletal Diversity by Sequential Three-Component Reaction of Amines, Isothiocyanates, and 1,2-Diaza-1,3-dienes Journal of Organic Chemistry 77 (2012) 1161-1167
Space group: P -1
Cell volume: 1000.39
Cell parameters: 8.4371; 8.7423; 14.5956; 105.766; 98.497; 99.551;  

COD ID: 4026895
CIF file Formula: - C19 H13 Br O2 -
Comments: Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids Journal of Organic Chemistry 77 (2012) 999-1009
Space group: P 1 21 1
Cell volume: 731.72
Cell parameters: 8.3746; 5.691; 15.6697; 90; 101.539; 90;  

COD ID: 4026896
CIF file Formula: - C15 H14 O2 -
Comments: Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids Journal of Organic Chemistry 77 (2012) 999-1009
Space group: P 1 21/c 1
Cell volume: 2288.1
Cell parameters: 10.0497; 9.862; 23.217; 90; 96.068; 90;  

COD ID: 4026897
CIF file Formula: - C38 H54 N4 O2 -
Comments: Juraj Galeta; Milan Potáček Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges Journal of Organic Chemistry 77 (2012) 1010-1017
Space group: P 1 21/n 1
Cell volume: 3246.9
Cell parameters: 11.9253; 20.4021; 13.345; 90; 90.039; 90;  

COD ID: 4026898
CIF file Formula: - C40 H52 N6 O2 -
Comments: Juraj Galeta; Milan Potáček Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges Journal of Organic Chemistry 77 (2012) 1010-1017
Space group: P -1
Cell volume: 1711.62
Cell parameters: 10.1677; 11.5098; 14.9251; 89.064; 80.717; 83.191;  

COD ID: 4026899
CIF file Formula: - C42.25 H63.5 Cl N4 O0.75 -
Comments: Juraj Galeta; Milan Potáček Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges Journal of Organic Chemistry 77 (2012) 1010-1017
Space group: P n a 21
Cell volume: 3979.21
Cell parameters: 17.9478; 20.838; 10.6397; 90; 90; 90;  

COD ID: 4026900
CIF file Formula: - C66 H98 Cl6 N8 O4 -
Comments: Juraj Galeta; Milan Potáček Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges Journal of Organic Chemistry 77 (2012) 1010-1017
Space group: P -1
Cell volume: 3177.8
Cell parameters: 12.5909; 16.0545; 16.6187; 81.534; 74.721; 80.6;  

COD ID: 4026901
CIF file Formula: - C16 H21 F2 N O3 -
Comments: Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2 Journal of Organic Chemistry 77 (2012) 991-998
Space group: P 1 21/c 1
Cell volume: 1506.7
Cell parameters: 6.702; 16.936; 13.275; 90; 90.508; 90;  

COD ID: 4026902
CIF file Formula: - C15 H19 F2 N O3 -
Comments: Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2 Journal of Organic Chemistry 77 (2012) 991-998
Space group: P c c n
Cell volume: 2914.9
Cell parameters: 11.428; 24.352; 10.474; 90; 90; 90;  

COD ID: 4026903
CIF file Formula: - C18 H30 O3 -
Comments: Dane Holte; Daniel C. G. Götz; Phil S. Baran An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization Journal of Organic Chemistry 77 (2012) 825-842
Space group: P -1
Cell volume: 3345.1
Cell parameters: 12.6177; 14.0998; 20.0716; 85.747; 89.306; 69.962;  

COD ID: 4026904
CIF file Formula: - C18 H30 O3 -
Comments: Dane Holte; Daniel C. G. Götz; Phil S. Baran An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization Journal of Organic Chemistry 77 (2012) 825-842
Space group: P -1
Cell volume: 830.35
Cell parameters: 5.5789; 11.6219; 13.0202; 94.998; 92.49; 98.515;  

COD ID: 4026905
CIF file Formula: - C26 H26 Br2 N2 O3 -
Comments: Dane Holte; Daniel C. G. Götz; Phil S. Baran An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization Journal of Organic Chemistry 77 (2012) 825-842
Space group: P 1 21/c 1
Cell volume: 2465.99
Cell parameters: 12.4712; 12.558; 15.8397; 90; 96.244; 90;  

COD ID: 4026906
CIF file Formula: - C16 H12 Br N O3 -
Comments: Liang-Qiu Lu; Zhi-Hui Ming; Jing An; Chao Li; Jia-Rong Chen; Wen-Jing Xiao Enantioselective Cascade Reactions of Stable Sulfur Ylides and Nitroolefins through an Axial-to-Central Chirality Transfer Strategy Journal of Organic Chemistry 77 (2012) 1072-1080
Space group: P 1 21 1
Cell volume: 716.07
Cell parameters: 7.9944; 6.2207; 14.801; 90; 103.384; 90;  

COD ID: 4026907
CIF file Formula: - C24 H14 Cl N O3 -
Comments: Yun Liu; Jin-Wei Sun Copper(II)-Catalyzed Synthesis of Benzo[f]pyrido[1,2-a]indole-6,11-dione Derivatives via Naphthoquinone Difunctionalization Reaction Journal of Organic Chemistry 77 (2012) 1191-1197
Space group: P -1
Cell volume: 925.9
Cell parameters: 7.5; 10.077; 12.947; 73.78; 84.08; 80.89;  

COD ID: 4026908
CIF file Formula: - C47 H63 Cl2 F3 N3 O4 P Pd S -
Comments: Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos Journal of Organic Chemistry 77 (2012) 1056-1071
Space group: P -1
Cell volume: 2365.9
Cell parameters: 10.6924; 12.4945; 18.4352; 102.594; 96.5551; 96.1075;  

COD ID: 4026909
CIF file Formula: - C30 H42 N O P -
Comments: Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos Journal of Organic Chemistry 77 (2012) 1056-1071
Space group: P -1
Cell volume: 1246.48
Cell parameters: 10.2665; 11.0209; 12.1446; 67.6814; 81.459; 79.9256;  

COD ID: 4026910
CIF file Formula: - C16 H13 Cl N4 O2 -
Comments: Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes Journal of Organic Chemistry 77 (2012) 1101-1112
Space group: C 1 2/c 1
Cell volume: 3058.1
Cell parameters: 30.931; 7.4285; 14.506; 90; 113.436; 90;  

COD ID: 4026911
CIF file Formula: - C23 H18 N4 O4 -
Comments: Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes Journal of Organic Chemistry 77 (2012) 1101-1112
Space group: P 1 21/c 1
Cell volume: 1988.4
Cell parameters: 9.3017; 9.7642; 21.914; 90; 92.503; 90;  

COD ID: 4026912
CIF file Formula: - C26.5 H30 O2 -
Comments: Sarah J. Ryan; Andreas Stasch; Michael N. Paddon-Row; David W. Lupton Synthetic and Quantum Mechanical Studies into theN-Heterocyclic Carbene Catalyzed (4 + 2) Cycloaddition Journal of Organic Chemistry 77 (2012) 1113-1124
Space group: P 1 21/c 1
Cell volume: 4230.6
Cell parameters: 23.192; 9.251; 21.285; 90; 112.12; 90;  

COD ID: 4026913
CIF file Formula: - C27 H34 N2 O2 S -
Comments: Zhihua Liu; Sukeshi J. Mehta; Kwang-Soo Lee; Bryan Grossman; Hongchang Qu; Xuyuan Gu; Gary S. Nichol; Victor J. Hruby Thio-Claisen Rearrangement Used in Preparing Anti-β-Functionalized γ,δ-Unsaturated Amino Acids: Scope and Limitations Journal of Organic Chemistry 77 (2012) 1289-1300
Space group: C 1 2 1
Cell volume: 2614
Cell parameters: 18.913; 6.478; 22.834; 90; 110.889; 90;  

COD ID: 4026914
CIF file Formula: - C13 H10 F3 N3 O2 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P 1 21/c 1
Cell volume: 1269.11
Cell parameters: 16.2577; 10.796; 7.2438; 90; 93.455; 90;  

COD ID: 4026915
CIF file Formula: - C13 H13 Br F3 N O5 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P -1
Cell volume: 771.93
Cell parameters: 7.1571; 8.4227; 13.3083; 98.186; 100.888; 96.356;  

COD ID: 4026916
CIF file Formula: - C13 H11 Br F3 N O4 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P -1
Cell volume: 728
Cell parameters: 9.2599; 9.4971; 9.9419; 70.159; 62.394; 83.144;  

COD ID: 4026917
CIF file Formula: - C14 H14 F3 N O5 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P 1 21/n 1
Cell volume: 1496
Cell parameters: 9.5898; 15.653; 11.0541; 90; 115.637; 90;  

COD ID: 4026918
CIF file Formula: - C14 H12 F3 N O4 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P -1
Cell volume: 671.8
Cell parameters: 4.499; 11.188; 13.464; 91.14; 97.51; 90.08;  

COD ID: 4026919
CIF file Formula: - C13 H9 Br F3 N O3 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P 1 21/c 1
Cell volume: 1341.27
Cell parameters: 11.6332; 7.956; 15.6028; 90; 111.752; 90;  

COD ID: 4026920
CIF file Formula: - C14 H12 F3 N O4 -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P -1
Cell volume: 696.4
Cell parameters: 7.856; 8.957; 10.209; 91.807; 98.09; 101.202;  

COD ID: 4026921
CIF file Formula: - C14 H9 F6 N O2 S -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: C 1 2/c 1
Cell volume: 8728.9
Cell parameters: 21.56; 14.2595; 29.844; 90; 107.941; 90;  

COD ID: 4026922
CIF file Formula: - C13 H12 F3 N O3 S -
Comments: Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody Diverse Trifluoromethyl Heterocycles from a Single Precursor Journal of Organic Chemistry 77 (2012) 1396-1405
Space group: P 1 21/c 1
Cell volume: 1356.1
Cell parameters: 12.1098; 5.6685; 20.055; 90; 99.927; 90;  

COD ID: 4026923
CIF file Formula: - C72 H90 N6 O10 -
Comments: Jayaraman Dessingou; Khatija Tabbasum; Atanu Mitra; Vijaya Kumar Hinge; Chebrolu P. Rao Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases Journal of Organic Chemistry 77 (2012) 1406-1413
Space group: P 1 21/c 1
Cell volume: 6554.7
Cell parameters: 22.4499; 11.9982; 25.5576; 90; 107.797; 90;  

COD ID: 4026924
CIF file Formula: - C29 H21 N3 O3 S -
Comments: Rajendran Suresh; Shanmugam Muthusubramanian; Rajendran Senthilkumaran; Govindaswamy Manickam SnCl2-Catalyzed Selective Atom Economic Imino Diels-Alder Reaction: Synthesis of 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)quinolines Journal of Organic Chemistry 77 (2012) 1468-1476
Space group: P -1
Cell volume: 1164.4
Cell parameters: 8.2737; 11.8237; 12.6735; 72.212; 81.277; 83.828;  

COD ID: 4026925
CIF file Formula: - C30 H26 -
Comments: Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives Journal of Organic Chemistry 77 (2012) 1422-1434
Space group: P 21 21 21
Cell volume: 2107.6
Cell parameters: 10.927; 12.053; 16.003; 90; 90; 90;  

COD ID: 4026926
CIF file Formula: - C50 H44 O2 -
Comments: Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives Journal of Organic Chemistry 77 (2012) 1422-1434
Space group: P -1
Cell volume: 1890.9
Cell parameters: 11.063; 11.841; 15.632; 106.815; 100.455; 97.499;  

COD ID: 4026927
CIF file Formula: - C38 H30 O3 -
Comments: Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives Journal of Organic Chemistry 77 (2012) 1422-1434
Space group: P n m a
Cell volume: 2695
Cell parameters: 12.561; 14.46; 14.835; 90; 90; 90;  

COD ID: 4026928
CIF file Formula: - C40 H33 Cl5 O3 -
Comments: Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives Journal of Organic Chemistry 77 (2012) 1422-1434
Space group: P 1 21 1
Cell volume: 1701
Cell parameters: 11.98; 11.128; 12.993; 90; 100.959; 90;  

COD ID: 4026929
CIF file Formula: - C66 H66 O6 -
Comments: Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives Journal of Organic Chemistry 77 (2012) 1422-1434
Space group: P 1 2/n 1
Cell volume: 5168
Cell parameters: 15.19; 10.119; 34.09; 90; 99.48; 90;  

COD ID: 4026930
CIF file Formula: - C71 H57 Br3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3106.9
Cell parameters: 18.0254; 18.0254; 11.0413; 90; 90; 120;  

COD ID: 4026931
CIF file Formula: - C26 H19 Cl N2 O2 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -1
Cell volume: 1034.61
Cell parameters: 8.828; 9.828; 12.638; 87.045; 70.963; 87.291;  

COD ID: 4026932
CIF file Formula: - C71 H57 Cl3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3038.1
Cell parameters: 17.9406; 17.9406; 10.8992; 90; 90; 120;  

COD ID: 4026933
CIF file Formula: - C74 H66 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3064.5
Cell parameters: 17.9054; 17.9054; 11.0374; 90; 90; 120;  

COD ID: 4026934
CIF file Formula: - C70.5 H57 Cl3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 2976.12
Cell parameters: 17.6734; 17.6734; 11.0022; 90; 90; 120;  

COD ID: 4026935
CIF file Formula: - C26 H26 N2 O7 -
Comments: Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone Journal of Organic Chemistry 77 (2012) 1477-1488
Space group: P 1 21 1
Cell volume: 1234.66
Cell parameters: 11.313; 6.289; 17.3747; 90; 92.826; 90;  

COD ID: 4026936
CIF file Formula: - C24 H32 N2 O5 -
Comments: Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone Journal of Organic Chemistry 77 (2012) 1477-1488
Space group: P 21 21 21
Cell volume: 2295.55
Cell parameters: 9.074; 11.6141; 21.7822; 90; 90; 90;  

COD ID: 4026937
CIF file Formula: - C14 H13 F O3 -
Comments: Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka Interaction of a C-F Bond with the π-System of a C=C Bond or "Head On" with a Proximate C-H Bond Journal of Organic Chemistry 77 (2012) 1605-1609
Space group: P b c a
Cell volume: 2174.64
Cell parameters: 11.8147; 13.0024; 14.156; 90; 90; 90;  

COD ID: 4026938
CIF file Formula: - C16 H22 O9 -
Comments: Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton Journal of Organic Chemistry 77 (2012) 1244-1250
Space group: P c a 21
Cell volume: 3698
Cell parameters: 17.04; 8.094; 26.81; 90; 90; 90;  

COD ID: 4026939
CIF file Formula: - C16 H22 O9 -
Comments: Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton Journal of Organic Chemistry 77 (2012) 1244-1250
Space group: P 1 21/a 1
Cell volume: 1825.31
Cell parameters: 8.8325; 14.1648; 14.7778; 90; 99.154; 90;  

COD ID: 4026940
CIF file Formula: - C27 H24 O4 -
Comments: Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities Journal of Organic Chemistry 77 (2012) 1685-1692
Space group: P 43
Cell volume: 2106.9
Cell parameters: 8.0546; 8.0546; 32.476; 90; 90; 90;  

COD ID: 4026941
CIF file Formula: - C20 H25 N O10 -
Comments: Akiko Baba; Tadao Yoshioka Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids Journal of Organic Chemistry 77 (2012) 1675-1684
Space group: P 21 21 21
Cell volume: 2158
Cell parameters: 5.5058; 11.098; 35.318; 90; 90; 90;  

COD ID: 4026942
CIF file Formula: - C20 H25 N O10 -
Comments: Akiko Baba; Tadao Yoshioka Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids Journal of Organic Chemistry 77 (2012) 1675-1684
Space group: P 1
Cell volume: 1061.1
Cell parameters: 8.655; 11.543; 12.702; 63.88; 70.64; 89.42;  

COD ID: 4026943
CIF file Formula: - C24 H23 N O -
Comments: Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry 77 (2012) 1701-1709
Space group: P n a 21
Cell volume: 1841.8
Cell parameters: 22.266; 8.883; 9.3118; 90; 90; 90;  

COD ID: 4026944
CIF file Formula: - C24 H29 N S -
Comments: Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry 77 (2012) 1701-1709
Space group: P 21 21 21
Cell volume: 2028.1
Cell parameters: 8.3438; 12.5908; 19.305; 90; 90; 90;  

COD ID: 4026945
CIF file Formula: - C24 H29 N S -
Comments: Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry 77 (2012) 1701-1709
Space group: P 21 21 21
Cell volume: 2065.4
Cell parameters: 7.3321; 15.2253; 18.502; 90; 90; 90;  

COD ID: 4026946
CIF file Formula: - C26 H27 N O -
Comments: Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry 77 (2012) 1701-1709
Space group: P 21 21 21
Cell volume: 2008
Cell parameters: 8.5449; 8.6216; 27.256; 90; 90; 90;  

COD ID: 4026947
CIF file Formula: - C25 H25 N O -
Comments: Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry 77 (2012) 1701-1709
Space group: P 21 21 21
Cell volume: 1904.8
Cell parameters: 8.1652; 8.6326; 27.024; 90; 90; 90;  

COD ID: 4026948
CIF file Formula: - C17 H13 N O2 -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P b c a
Cell volume: 2602
Cell parameters: 13.42; 7.6711; 25.275; 90; 90; 90;  

COD ID: 4026949
CIF file Formula: - C18 H14 O -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: C 1 2/c 1
Cell volume: 2676
Cell parameters: 22.137; 7.901; 15.787; 90; 104.305; 90;  

COD ID: 4026950
CIF file Formula: - C18 H13 N -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P 1 21/c 1
Cell volume: 1329.8
Cell parameters: 11.38; 16.27; 7.2667; 90; 98.752; 90;  

COD ID: 4026951
CIF file Formula: - C17 H13 F -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P 1 21/n 1
Cell volume: 1251.4
Cell parameters: 8.217; 9.041; 16.898; 90; 94.545; 90;  

COD ID: 4026952
CIF file Formula: - C18 H16 O -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P 21 21 21
Cell volume: 1326
Cell parameters: 8.223; 8.9887; 17.94; 90; 90; 90;  

COD ID: 4026953
CIF file Formula: - C17 H13 Cl -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P 1 21/c 1
Cell volume: 2621.2
Cell parameters: 16.582; 9.6251; 17.605; 90; 111.114; 90;  

COD ID: 4026954
CIF file Formula: - C18 H16 -
Comments: Colin W. Anson; Dasan M. Thamattoor Influence of Substituents on the Through-Space Shielding of Aromatic Rings Journal of Organic Chemistry 77 (2012) 1693-1700
Space group: P 1 21/c 1
Cell volume: 1335.8
Cell parameters: 8.1895; 24.346; 7.5266; 90; 117.113; 90;  

COD ID: 4026955
CIF file Formula: - C19 H17 F3 N2 O3 -
Comments: Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain Journal of Organic Chemistry 77 (2012) 1738-1748
Space group: P 1 21/c 1
Cell volume: 1705.93
Cell parameters: 9.6439; 19.2458; 9.3848; 90; 101.658; 90;  

COD ID: 4026956
CIF file Formula: - C15 H14 F3 N O5 -
Comments: Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain Journal of Organic Chemistry 77 (2012) 1738-1748
Space group: P 1 21/c 1
Cell volume: 1587
Cell parameters: 18.214; 9.281; 9.715; 90; 104.9; 90;  

COD ID: 4026957
CIF file Formula: - C18 H17 F3 N2 O4 -
Comments: Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain Journal of Organic Chemistry 77 (2012) 1738-1748
Space group: P -1
Cell volume: 859.63
Cell parameters: 9.3989; 9.6211; 10.509; 105.856; 101.153; 102.494;  

COD ID: 4026958
CIF file Formula: - C21 H27 N O4 -
Comments: Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain Journal of Organic Chemistry 77 (2012) 1738-1748
Space group: P 21 21 21
Cell volume: 1908.7
Cell parameters: 7.0943; 14.9317; 18.0186; 90; 90; 90;  

COD ID: 4026959
CIF file Formula: - C3 H5 N5 O6 S2 -
Comments: Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer Sensitivities of Some Imidazole-1-sulfonyl Azide Salts Journal of Organic Chemistry 77 (2012) 1760-1764
Space group: P 1 21/c 1
Cell volume: 961.99
Cell parameters: 5.4247; 26.0447; 7.076; 90; 105.793; 90;  

COD ID: 4026960
CIF file Formula: - C3 H4 Cl N5 O2 S -
Comments: Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer Sensitivities of Some Imidazole-1-sulfonyl Azide Salts Journal of Organic Chemistry 77 (2012) 1760-1764
Space group: P 1 21/c 1
Cell volume: 812.61
Cell parameters: 7.4067; 9.2983; 11.983; 90; 100.049; 90;  

COD ID: 4026961
CIF file Formula: - C16 H17 N3 O2 -
Comments: Rupam Sarma; Manas M. Sarmah; Dipak Prajapati Microwave-Promoted Catalyst- and Solvent-Free Aza-Diels-Alder Reaction of Aldimines with 6-[2-(Dimethylamino)vinyl]-1,3-dimethyluracil Journal of Organic Chemistry 77 (2012) 2018-2023
Space group: P 1 21/c 1
Cell volume: 1426.2
Cell parameters: 9.677; 11.802; 12.736; 90; 101.324; 90;  

COD ID: 4026962
CIF file Formula: - C29 H52 N2 O12 S4 -
Comments: Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization Journal of Organic Chemistry 77 (2012) 1789-1797
Space group: P 1 21/n 1
Cell volume: 3573.09
Cell parameters: 15.3179; 11.0106; 21.8847; 90; 104.525; 90;  

COD ID: 4026963
CIF file Formula: - C23 H40 N2 O2 S4 -
Comments: Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization Journal of Organic Chemistry 77 (2012) 1789-1797
Space group: P 1 21/c 1
Cell volume: 2668.41
Cell parameters: 11.5578; 17.3536; 13.7567; 90; 104.737; 90;  

COD ID: 4026964
CIF file Formula: - C27 H58 N2 O12 S4 -
Comments: Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization Journal of Organic Chemistry 77 (2012) 1789-1797
Space group: P c c n
Cell volume: 3638.4
Cell parameters: 15.4577; 17.4225; 13.5101; 90; 90; 90;  

COD ID: 4026965
CIF file

HKL data

 Formula: - C29 H45 N O4 Si -
Comments: Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine Journal of Organic Chemistry 77 (2012) 1812-1832
Space group: P 1 21 1
Cell volume: 1514.8
Cell parameters: 15.255; 10.757; 9.418; 90; 101.43; 90;  

COD ID: 4026966
CIF file Formula: - C28 H26 O6 -
Comments: John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier Total Synthesis of (±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization Journal of Organic Chemistry 77 (2012) 1891-1908
Space group: P 1 21/c 1
Cell volume: 2226.1
Cell parameters: 10.8038; 23.985; 8.7832; 90; 102.021; 90;  

COD ID: 4026967
CIF file Formula: - C26 H22 O6 -
Comments: John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier Total Synthesis of (±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization Journal of Organic Chemistry 77 (2012) 1891-1908
Space group: P 1 21/n 1
Cell volume: 2184.5
Cell parameters: 11.3933; 9.578; 20.154; 90; 96.663; 90;  

COD ID: 4026968
CIF file Formula: - C30 H30 O8 -
Comments: John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier Total Synthesis of (±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization Journal of Organic Chemistry 77 (2012) 1891-1908
Space group: P -1
Cell volume: 1281.13
Cell parameters: 9.8878; 11.5836; 12.5674; 76.497; 85.255; 66.263;  

COD ID: 4026969
CIF file Formula: - C27 H21 F3 O9 S -
Comments: John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier Total Synthesis of (±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization Journal of Organic Chemistry 77 (2012) 1891-1908
Space group: P -1
Cell volume: 1246.9
Cell parameters: 9.0885; 9.8939; 14.454; 85.558; 79.432; 77.598;  

COD ID: 4026970
CIF file Formula: - C26 H30 N2 O2 S3 -
Comments: Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks Journal of Organic Chemistry 77 (2012) 2041-2046
Space group: C 1 c 1
Cell volume: 2557.1
Cell parameters: 15.389; 4.8134; 34.523; 90; 90.643; 90;  

COD ID: 4026971
CIF file Formula: - C28 H30 N4 O2 S3 -
Comments: Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks Journal of Organic Chemistry 77 (2012) 2041-2046
Space group: P -1
Cell volume: 1396.73
Cell parameters: 7.7287; 12.9149; 15.251; 66.888; 87.862; 86.072;  

COD ID: 4026972
CIF file Formula: - C10 H16 O4 -
Comments: Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin Selective Synthesis of Cyclic Peroxides from Triketones and H2O2 Journal of Organic Chemistry 77 (2012) 1833-1842
Space group: P b c a
Cell volume: 2082.1
Cell parameters: 10.477; 15.019; 13.2317; 90; 90; 90;  

COD ID: 4026973
CIF file Formula: - C14 H15 Br O4 -
Comments: Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin Selective Synthesis of Cyclic Peroxides from Triketones and H2O2 Journal of Organic Chemistry 77 (2012) 1833-1842
Space group: P c a 21
Cell volume: 1329.7
Cell parameters: 14.787; 6.7567; 13.309; 90; 90; 90;  

COD ID: 4026974
CIF file Formula: - C44 H30 Cl2 N12 O12 -
Comments: Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions Journal of Organic Chemistry 77 (2012) 1860-1867
Space group: P 1 21/n 1
Cell volume: 5009.7
Cell parameters: 13.809; 17.516; 20.801; 90; 95.313; 90;  

COD ID: 4026975
CIF file Formula: - C32 H22 Cl2 N12 O14 -
Comments: Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions Journal of Organic Chemistry 77 (2012) 1860-1867
Space group: P 1 21/n 1
Cell volume: 4516
Cell parameters: 12.783; 27.232; 13.362; 90; 103.859; 90;  

COD ID: 4026976
CIF file Formula: - C37 H17 Cl3 F10 N6 O12 -
Comments: Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions Journal of Organic Chemistry 77 (2012) 1860-1867
Space group: C 1 2/c 1
Cell volume: 8635
Cell parameters: 32.062; 12.597; 26.339; 90; 125.74; 90;  

COD ID: 4026977
CIF file Formula: - C22 H18 Cl4 N6 O6 -
Comments: Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions Journal of Organic Chemistry 77 (2012) 1860-1867
Space group: C 2 2 21
Cell volume: 2944.3
Cell parameters: 9.1999; 16.063; 19.924; 90; 90; 90;  

COD ID: 4026978
CIF file Formula: - C44 H47 F8 N O10 -
Comments: Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions Journal of Organic Chemistry 77 (2012) 1860-1867
Space group: P -1
Cell volume: 2172.2
Cell parameters: 7.782; 14.283; 19.997; 93.94; 95.73; 99.62;  

COD ID: 4026979
CIF file Formula: - C14 H11 N3 O2 -
Comments: Ru-Long Yan; Hao Yan; Chao Ma; Zhi-Yong Ren; Xi-Ai Gao; Guo-Sheng Huang; Yong-Min Liang Cu(I)-Catalyzed Synthesis of Imidazo[1,2-a]pyridines from Aminopyridines and Nitroolefins Using Air as the Oxidant Journal of Organic Chemistry 77 (2012) 2024-2028
Space group: C 1 2/c 1
Cell volume: 2410.4
Cell parameters: 20.247; 7.55; 18.304; 90; 120.519; 90;  

COD ID: 4026980
CIF file Formula: - C19 H20 N2 -
Comments: Rishikesh Narayan; Roland Fröhlich; Ernst-Ulrich Würthwein Synthesis of Pyrroles through a 4π-Electrocyclic Ring-Closure Reaction of 1-Azapentadienyl Cations Journal of Organic Chemistry 77 (2012) 1868-1879
Space group: C 1 2/c 1
Cell volume: 3095.76
Cell parameters: 18.0934; 8.1573; 21.2642; 90; 99.461; 90;  

COD ID: 4026981
CIF file Formula: - C45 H39 I3 N5 O9 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2369.6
Cell parameters: 15.4491; 15.4491; 11.464; 90; 90; 120;  

COD ID: 4026982
CIF file Formula: - C45 H39 Cl3 N5 O9 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2361.4
Cell parameters: 15.421; 15.421; 11.4661; 90; 90; 120;  

COD ID: 4026983
CIF file Formula: - C92 H78 Br6 Cl1.98 N10 O18 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2315.52
Cell parameters: 15.3378; 15.3378; 11.3656; 90; 90; 120;  

COD ID: 4026984
CIF file Formula: - C21 H22 N2 O6 S -
Comments: Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source Journal of Organic Chemistry 77 (2012) 1922-1930
Space group: P b c a
Cell volume: 4099.3
Cell parameters: 15.4444; 15.8126; 16.7857; 90; 90; 90;  

COD ID: 4026985
CIF file Formula: - C21 H22 N2 O6 S -
Comments: Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source Journal of Organic Chemistry 77 (2012) 1922-1930
Space group: P c a 21
Cell volume: 2048.11
Cell parameters: 16.9652; 11.2859; 10.6969; 90; 90; 90;  

COD ID: 4026986
CIF file Formula: - C18 H30 Cl2 N2 O6 S -
Comments: Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source Journal of Organic Chemistry 77 (2012) 1922-1930
Space group: P -1
Cell volume: 2324.1
Cell parameters: 10.5604; 13.471; 16.7672; 90.305; 91.642; 102.887;  

COD ID: 4026987
CIF file Formula: - C25 H28 O2 Si -
Comments: Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols Journal of Organic Chemistry 77 (2012) 1915-1921
Space group: P b c a
Cell volume: 4439.1
Cell parameters: 15.6955; 11.4214; 24.763; 90; 90; 90;  

COD ID: 4026988
CIF file Formula: - C24 H30 N2 O2 Pd -
Comments: Jeffrey S. Cannon; James H. Frederich; Larry E. Overman Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates Journal of Organic Chemistry 77 (2012) 1939-1951
Space group: P 21 21 21
Cell volume: 2266
Cell parameters: 8.8063; 12.8761; 19.984; 90; 90; 90;  

COD ID: 4026989
CIF file Formula: - C25 H32 N2 O2 Pd -
Comments: Jeffrey S. Cannon; James H. Frederich; Larry E. Overman Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates Journal of Organic Chemistry 77 (2012) 1939-1951
Space group: P 1 21 1
Cell volume: 1142.16
Cell parameters: 12.1379; 7.2271; 13.099; 90; 96.2841; 90;  

COD ID: 4026990
CIF file Formula: - C27 H28 N2 O2 Pd -
Comments: Jeffrey S. Cannon; James H. Frederich; Larry E. Overman Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates Journal of Organic Chemistry 77 (2012) 1939-1951
Space group: P 1 21 1
Cell volume: 1149.87
Cell parameters: 13.4182; 5.8548; 15.0836; 90; 103.983; 90;  

COD ID: 4026991
CIF file Formula: - C44 H43 B O2 -
Comments: Guang-Liang Fu; Hong-Yu Zhang; Yi-Qiao Yan; Cui-Hua Zhao p-Quaterphenyls Laterally Substituted with a Dimesitylboryl Group: A Promising Class of Solid-State Blue Emitters Journal of Organic Chemistry 77 (2012) 1983-1990
Space group: P -1
Cell volume: 1746.1
Cell parameters: 8.4643; 15.585; 15.6693; 61.0011; 81.5729; 75.0436;  

COD ID: 4026992
CIF file Formula: - C34 H25 N O -
Comments: Xiang-Chuan Wang; Ru-Long Yan; Mei-Jin Zhong; Yong-Min Liang Bi(III)-Catalyzed Intermolecular Reactions of (Z)-Pent-2-en-4-yl Acetates with Ethynylarenes for the Construction of Multisubstituted Fluorene Skeletons through a Cascade Electrophilic Addition/Cycloisomerization Sequence Journal of Organic Chemistry 77 (2012) 2064-2068
Space group: C 1 2/c 1
Cell volume: 5020
Cell parameters: 11.739; 15.319; 28.17; 90; 97.721; 90;  

COD ID: 4026993
CIF file Formula: - C8 H6 Br2 O5 -
Comments: Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman Apical Functionalization of Chiral Heterohelicenes Journal of Organic Chemistry 77 (2012) 2074-2079
Space group: C 1 2/c 1
Cell volume: 2069.8
Cell parameters: 31.539; 3.8967; 18.5813; 90; 114.991; 90;  

COD ID: 4026994
CIF file Formula: - C23 H20 Br N O5 -
Comments: Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman Apical Functionalization of Chiral Heterohelicenes Journal of Organic Chemistry 77 (2012) 2074-2079
Space group: P 1 21/c 1
Cell volume: 2191.58
Cell parameters: 11.3754; 18.5764; 10.7773; 90; 105.779; 90;  

COD ID: 4026995
CIF file Formula: - C21 H16 Br N O5 -
Comments: Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman Apical Functionalization of Chiral Heterohelicenes Journal of Organic Chemistry 77 (2012) 2074-2079
Space group: P -1
Cell volume: 1023.42
Cell parameters: 8.7822; 10.8031; 10.989; 85.777; 82.92; 82.235;  

COD ID: 4026996
CIF file Formula: - C31.25 H25 Br N O6 -
Comments: Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman Apical Functionalization of Chiral Heterohelicenes Journal of Organic Chemistry 77 (2012) 2074-2079
Space group: P 1 21 1
Cell volume: 5772.89
Cell parameters: 8.3538; 29.5716; 23.3724; 90; 91.021; 90;  

COD ID: 4026997
CIF file Formula: - C63.5 H47 N2 O12.5 -
Comments: Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman Apical Functionalization of Chiral Heterohelicenes Journal of Organic Chemistry 77 (2012) 2074-2079
Space group: C 1 2 1
Cell volume: 6560.5
Cell parameters: 20.919; 24.1923; 15.2145; 90; 121.565; 90;  

COD ID: 4026998
CIF file Formula: - C19 H20 N2 O3 S -
Comments: Eri Kanno; Kenichi Yamanoi; Shunsuke Koya; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito [5 + 2] Cycloaddition Reaction of 2-Vinylaziridines and Sulfonyl Isocyanates. Synthesis of Seven-Membered Cyclic Ureas Journal of Organic Chemistry 77 (2012) 2142-2148
Space group: P 21 21 21
Cell volume: 1741
Cell parameters: 10.1338; 10.1569; 16.9149; 90; 90; 90;  

COD ID: 4026999
CIF file Formula: - C8 H11 I2 N O -
Comments: Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides Journal of Organic Chemistry 77 (2012) 2149-2158
Space group: P 1 21/c 1
Cell volume: 1062.37
Cell parameters: 6.9197; 14.4321; 10.8204; 90; 100.536; 90;  

COD ID: 4027000
CIF file Formula: - C11 H17 I2 N O3 -
Comments: Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides Journal of Organic Chemistry 77 (2012) 2149-2158
Space group: P 21 21 21
Cell volume: 1531.73
Cell parameters: 7.9762; 13.5692; 14.1525; 90; 90; 90;  

COD ID: 4027001
CIF file Formula: - C11 H17 N O3 -
Comments: Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides Journal of Organic Chemistry 77 (2012) 2149-2158
Space group: P 1
Cell volume: 281.14
Cell parameters: 5.8915; 6.4911; 8.4228; 107.971; 101.168; 105.691;  

COD ID: 4027002
CIF file Formula: - C10 H16 O5 -
Comments: Paresh M. Vadhadiya; Vedavati G. Puranik; C. V. Ramana The Total Synthesis and Structural Revision of Stagonolide D Journal of Organic Chemistry 77 (2012) 2169-2175
Space group: P 1 21 1
Cell volume: 522.8
Cell parameters: 7.5846; 5.833; 11.8172; 90; 90.213; 90;  

COD ID: 4027003
CIF file Formula: - C25 H27 B O -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: P -1
Cell volume: 1083.96
Cell parameters: 8.5066; 10.9081; 12.4869; 97.629; 98.612; 105.779;  

COD ID: 4027004
CIF file Formula: - C31 H32 B N -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: P -1
Cell volume: 4958.7
Cell parameters: 17.0358; 17.6527; 18.1968; 74.203; 70.754; 88.57;  

COD ID: 4027005
CIF file Formula: - C35 H34 B N -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: P -1
Cell volume: 2732.9
Cell parameters: 12.204; 15.3764; 16.6166; 116.404; 92.153; 99.484;  

COD ID: 4027006
CIF file Formula: - C56 H58 B2 N2 -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: P 1 21/c 1
Cell volume: 2154.5
Cell parameters: 9.569; 13.299; 17.327; 90; 102.286; 90;  

COD ID: 4027007
CIF file Formula: - C62 H64 B2 Cl4 N2 -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: C 1 2/c 1
Cell volume: 5442.5
Cell parameters: 37.6706; 8.0291; 21.1282; 90; 121.608; 90;  

COD ID: 4027008
CIF file Formula: - C36 H37 B Cl2 N2 O -
Comments: Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners Journal of Organic Chemistry 77 (2012) 2176-2184
Space group: P -1
Cell volume: 1523.76
Cell parameters: 9.2141; 11.7224; 14.3987; 90.686; 101.238; 92.383;  

COD ID: 4027009
CIF file Formula: - C22 H32 Cl2 N4 O14 -
Comments: Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features. Journal of Organic Chemistry 77 (2012) 2207-2218
Space group: P 1 21/n 1
Cell volume: 2759.5
Cell parameters: 12.0642; 12.2497; 18.74; 90; 94.866; 90;  

COD ID: 4027010
CIF file Formula: - C8 H13 Cl N O8 -
Comments: Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features. Journal of Organic Chemistry 77 (2012) 2207-2218
Space group: P -1
Cell volume: 570.6
Cell parameters: 7.871; 8.087; 10.307; 72.08; 67.16; 76.62;  

COD ID: 4027011
CIF file Formula: - C31 H19 B N6 O3 S -
Comments: Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender Pseudohalides of Boron Subphthalocyanine Journal of Organic Chemistry 77 (2012) 2531-2536
Space group: P -1
Cell volume: 1231.07
Cell parameters: 8.7086; 11.9726; 12.5052; 93.149; 105.062; 100.435;  

COD ID: 4027012
CIF file Formula: - C25 H15 B N6 O3 S -
Comments: Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender Pseudohalides of Boron Subphthalocyanine Journal of Organic Chemistry 77 (2012) 2531-2536
Space group: C 1 2/c 1
Cell volume: 4868.9
Cell parameters: 28.6367; 10.6211; 16.0322; 90; 93.147; 90;  

COD ID: 4027013
CIF file Formula: - C25.5 H16 B Cl N6 O3 S -
Comments: Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender Pseudohalides of Boron Subphthalocyanine Journal of Organic Chemistry 77 (2012) 2531-2536
Space group: P n a 21
Cell volume: 4498.8
Cell parameters: 20.0996; 11.4689; 19.5158; 90; 90; 90;  

COD ID: 4027014
CIF file Formula: - C30 H16 B Cl N6 O3 S -
Comments: Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender Pseudohalides of Boron Subphthalocyanine Journal of Organic Chemistry 77 (2012) 2531-2536
Space group: P -1
Cell volume: 1231.5
Cell parameters: 8.6104; 12.0076; 12.6012; 93.8835; 104.724; 100.18;  

COD ID: 4027015
CIF file Formula: - C15 H19 N O2 S -
Comments: Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction Journal of Organic Chemistry 77 (2012) 2508-2512
Space group: P -1
Cell volume: 744.9
Cell parameters: 7.4612; 9.3954; 11.6354; 77.585; 84.603; 69.277;  

COD ID: 4027016
CIF file Formula: - C21 H24 S -
Comments: Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction Journal of Organic Chemistry 77 (2012) 2508-2512
Space group: P 1 21/n 1
Cell volume: 5250
Cell parameters: 9.953; 22.576; 23.586; 90; 97.836; 90;  

COD ID: 4027017
CIF file Formula: - C13 H13 B F4 O -
Comments: Arumugam Thangavel; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis Orientation of Pyrylium Guests in Cucurbituril Hosts Journal of Organic Chemistry 77 (2012) 2263-2271
Space group: P 1 21/c 1
Cell volume: 1238.4
Cell parameters: 10.8115; 8.1263; 15.801; 90; 116.867; 90;  

COD ID: 4027018
CIF file Formula: - C137 H155 Cl3 N4 O16 -
Comments: Chia-Chen Tsai; I-Ting Ho; Jean-Ho Chu; Li-Ching Shen; Shou-Ling Huang; Wen-Sheng Chung Synthesis of 9,10-Bis-ketoenaminoanthryl and 9,10-Bis-isoxazolylanthryl Linked Biscalix[4]arenes: Atropisomers and Molecular Recognitions Journal of Organic Chemistry 77 (2012) 2254-2262
Space group: P -1
Cell volume: 3121.4
Cell parameters: 11.943; 16.0684; 16.8946; 82.311; 81.842; 78.038;  

COD ID: 4027019
CIF file Formula: - C23 H35 N O8 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P -1
Cell volume: 1173.4
Cell parameters: 8.3584; 10.8267; 14.0001; 69.264; 85.675; 82.217;  

COD ID: 4027020
CIF file Formula: - C17 H25 N O8 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P -1
Cell volume: 1860.97
Cell parameters: 7.8196; 28.2633; 8.4619; 90; 95.6773; 90;  

COD ID: 4027021
CIF file Formula: - C16 H17 N O6 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P 1 21/c 1
Cell volume: 1567.54
Cell parameters: 7.75079; 17.8174; 11.3873; 90; 94.587; 90;  

COD ID: 4027022
CIF file Formula: - C14 H21 N O6 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P 1 21 1
Cell volume: 755.6
Cell parameters: 7.717; 10.035; 9.992; 90; 102.451; 90;  

COD ID: 4027023
CIF file Formula: - C13 H19 Ag N O6 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P -1
Cell volume: 1673.2
Cell parameters: 10.888; 11.294; 15.876; 78.3; 79.01; 61.71;  

COD ID: 4027024
CIF file Formula: - C23 H35 N O8 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P b c a
Cell volume: 4749.5
Cell parameters: 10.1204; 17.7; 26.514; 90; 90; 90;  

COD ID: 4027025
CIF file Formula: - C24 H29 N O6 -
Comments: Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds Journal of Organic Chemistry 77 (2012) 2236-2245
Space group: P 1 21/c 1
Cell volume: 2242.3
Cell parameters: 6.0984; 21.6451; 17.4041; 90; 102.572; 90;  

COD ID: 4027026
CIF file Formula: - C9 H16 O3 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 893.21
Cell parameters: 5.9681; 10.2367; 14.6203; 90; 90; 90;  

COD ID: 4027027
CIF file Formula: - C11 H20 O4 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 2356.4
Cell parameters: 10.864; 13.608; 15.939; 90; 90; 90;  

COD ID: 4027028
CIF file Formula: - C15 H26 O6 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 1613.32
Cell parameters: 8.6771; 10.9779; 16.9366; 90; 90; 90;  

COD ID: 4027029
CIF file Formula: - C11 H12 O3 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 1 21 1
Cell volume: 955
Cell parameters: 10.1592; 6.5759; 14.314; 90; 92.95; 90;  

COD ID: 4027030
CIF file Formula: - C8 H16 O4 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 1 21 1
Cell volume: 447.98
Cell parameters: 6.0355; 8.5641; 8.9483; 90; 104.406; 90;  

COD ID: 4027031
CIF file Formula: - C32 H64 O16 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 1 21 1
Cell volume: 927.06
Cell parameters: 11.0893; 6.3495; 13.239; 90; 96.008; 90;  

COD ID: 4027032
CIF file Formula: - C12 H22 O6 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 1 21 1
Cell volume: 705.1
Cell parameters: 7.6824; 8.4578; 10.8731; 90; 93.655; 90;  

COD ID: 4027033
CIF file Formula: - C14 H26 O6 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 1518.3
Cell parameters: 7.9057; 9.811; 19.575; 90; 90; 90;  

COD ID: 4027034
CIF file Formula: - C17 H26 O3 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 1 21/c 1
Cell volume: 1562.26
Cell parameters: 11.3676; 12.1304; 11.3295; 90; 90.147; 90;  

COD ID: 4027035
CIF file Formula: - C10 H18 O4 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 1095.8
Cell parameters: 6.6073; 10.3686; 15.9951; 90; 90; 90;  

COD ID: 4027036
CIF file Formula: - C17 H21 Br O4 -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 1625.1
Cell parameters: 8.7936; 8.8297; 20.9298; 90; 90; 90;  

COD ID: 4027037
CIF file Formula: - C16 H30 O6 Si -
Comments: Ulf Scheffler; Rainer Mahrwald Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism Journal of Organic Chemistry 77 (2012) 2310-2330
Space group: P 21 21 21
Cell volume: 1846.04
Cell parameters: 7.3165; 9.6178; 26.2338; 90; 90; 90;  

COD ID: 4027038
CIF file Formula: - C59 H84 F6 O11 S6 -
Comments: Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation Journal of Organic Chemistry 77 (2012) 2272-2278
Space group: P -1
Cell volume: 3299.78
Cell parameters: 13.2733; 13.6491; 19.3858; 79.467; 87.473; 72.882;  

COD ID: 4027039
CIF file Formula: - C38 H43 F3 O7 S5 -
Comments: Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation Journal of Organic Chemistry 77 (2012) 2272-2278
Space group: P -1
Cell volume: 4003.36
Cell parameters: 8.8; 18.12; 25.465; 94.159; 91.18; 98.499;  

COD ID: 4027040
CIF file Formula: - C51 H60 N4 -
Comments: Andrzej Rajca; Przemysław J. Boratyński; Arnon Olankitwanit; Kouichi Shiraishi; Maren Pink; Suchada Rajca Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems Journal of Organic Chemistry 77 (2012) 2107-2120
Space group: C 1 2 1
Cell volume: 4029.2
Cell parameters: 58.012; 6.97; 10.0048; 90; 95.132; 90;  

COD ID: 4027041
CIF file Formula: - C69 H5 N S4 -
Comments: Hui-Lei Hou; Xiang Gao Aerobic Oxidations of C602- in the Presence of PhCN and PhCH2CN: Oxygenation versus Dehydrogenation Reactions Journal of Organic Chemistry 77 (2012) 2553-2558
Space group: P -1
Cell volume: 1894.2
Cell parameters: 9.9728; 13.2397; 15.0024; 93.158; 97.343; 104.503;  

COD ID: 4027042
CIF file Formula: - C15 H21 N O5 -
Comments: Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines) Journal of Organic Chemistry 77 (2012) 2345-2359
Space group: P 21 21 2
Cell volume: 1465.3
Cell parameters: 11.2502; 22.633; 5.7548; 90; 90; 90;  

COD ID: 4027043
CIF file Formula: - C15 H21 O4 -
Comments: Bernd Schmidt; Stefan Krehl; Alexandra Kelling; Uwe Schilde Synthesis of 8-Aryl-Substituted Coumarins Based on Ring-Closing Metathesis and Suzuki-Miyaura Coupling: Synthesis of a Furyl Coumarin Natural Product from Galipea panamensis Journal of Organic Chemistry 77 (2012) 2360-2367
Space group: P 1 21/c 1
Cell volume: 1233.13
Cell parameters: 7.7904; 11.2095; 15.2472; 90; 112.16; 90;  

COD ID: 4027044
CIF file Formula: - C10 H23 N O3 Si2 -
Comments: Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine Journal of Organic Chemistry 77 (2012) 2382-2388
Space group: P 1 21/c 1
Cell volume: 1417.5
Cell parameters: 6.0574; 11.2877; 21.5246; 90; 105.601; 90;  

COD ID: 4027045
CIF file Formula: - C27 H26 F N O5 S -
Comments: Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation Journal of Organic Chemistry 77 (2012) 2398-2406
Space group: P 1 21/c 1
Cell volume: 2543.6
Cell parameters: 9.729; 17.138; 15.269; 90; 92.418; 90;  

COD ID: 4027046
CIF file Formula: - C27 H28 F N O5 S -
Comments: Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation Journal of Organic Chemistry 77 (2012) 2398-2406
Space group: P -1
Cell volume: 1258.93
Cell parameters: 8.999; 10.3477; 13.9922; 83.058; 84.028; 77.561;  

COD ID: 4027047
CIF file Formula: - C21 H25 N3 O4 -
Comments: Jared W. Rigoli; Luke A. Boralsky; John C. Hershberger; Dagmara Marston; Alan R. Meis; Ilia A. Guzei; Jennifer M. Schomaker 1,4-Diazaspiro[2.2]pentanes as a Flexible Platform for the Synthesis of Diamine-Bearing Stereotriads Journal of Organic Chemistry 77 (2012) 2446-2455
Space group: P 1 21/n 1
Cell volume: 2263.2
Cell parameters: 16.968; 7.1256; 18.778; 90; 94.56; 90;  

COD ID: 4027048
CIF file Formula: - C94 H107 F24 N5 O12 P4 -
Comments: Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes Journal of Organic Chemistry 77 (2012) 2422-2430
Space group: C 1 2/c 1
Cell volume: 21849
Cell parameters: 28.868; 16.245; 48.477; 90; 106.04; 90;  

COD ID: 4027049
CIF file Formula: - C88 H96 F24 N4 O16 P4 -
Comments: Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes Journal of Organic Chemistry 77 (2012) 2422-2430
Space group: P -1
Cell volume: 4300.7
Cell parameters: 13.274; 16.473; 21.939; 73.342; 76.401; 71.387;  

COD ID: 4027050
CIF file Formula: - C76 H82 F12 N2 O14 P2 -
Comments: Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes Journal of Organic Chemistry 77 (2012) 2422-2430
Space group: P -1
Cell volume: 1820.6
Cell parameters: 12.469; 13.495; 13.729; 61.238; 64.049; 78.738;  

COD ID: 4027051
CIF file Formula: - C52 H35 Cl2 N5 Ni0.05 O -
Comments: Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski 1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers Journal of Organic Chemistry 77 (2012) 2431-2440
Space group: P -1
Cell volume: 1923.4
Cell parameters: 12.16; 13.2309; 13.6965; 72.112; 68.34; 75.152;  

COD ID: 4027052
CIF file Formula: - C63.5 H45.5 Cl8.5 N6 O2 -
Comments: Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski 1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers Journal of Organic Chemistry 77 (2012) 2431-2440
Space group: P 1 21/c 1
Cell volume: 5808.2
Cell parameters: 12.1898; 27.885; 17.4845; 90; 102.235; 90;  

COD ID: 4027053
CIF file Formula: - C131 H94 Cl6 N16 S32 -
Comments: Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor Journal of Organic Chemistry 77 (2012) 2441-2445
Space group: P -1
Cell volume: 3628.3
Cell parameters: 12.564; 15.406; 19.363; 89.76; 80.24; 79.32;  

COD ID: 4027054
CIF file Formula: - C299 H136 O40 S2 -
Comments: Huan Huang; Gang Zhang; Sisi Liang; Nana Xin; Liangbing Gan Selective Synthesis of Fullerenol Derivatives with Terminal Alkyne and Crown Ether Addends Journal of Organic Chemistry 77 (2012) 2456-2462
Space group: P -1
Cell volume: 4780
Cell parameters: 14.809; 17.264; 19.65; 88.48; 73.52; 82.88;  

COD ID: 4027055
CIF file Formula: - C19 H17 N O3 -
Comments: Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates Journal of Organic Chemistry 77 (2012) 2924-2928
Space group: P c a b
Cell volume: 3230.5
Cell parameters: 20.5963; 10.163; 15.4331; 90; 90; 90;  

COD ID: 4027056
CIF file Formula: - C16 H26 S2 Si3 -
Comments: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination Journal of Organic Chemistry 77 (2012) 2929-2934
Space group: P 1 21 1
Cell volume: 1034.9
Cell parameters: 10.16; 10.464; 10.644; 90; 113.854; 90;  

COD ID: 4027057
CIF file Formula: - C19 H34 S2 Si4 -
Comments: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination Journal of Organic Chemistry 77 (2012) 2929-2934
Space group: P 1 21/c 1
Cell volume: 2648.7
Cell parameters: 21.037; 11.731; 10.746; 90; 92.84; 90;  

COD ID: 4027058
CIF file Formula: - C26 H34 S4 Si4 -
Comments: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination Journal of Organic Chemistry 77 (2012) 2929-2934
Space group: P 21 21 21
Cell volume: 3181.4
Cell parameters: 13.2682; 13.7288; 17.4654; 90; 90; 90;  

COD ID: 4027059
CIF file Formula: - C16 H25 Br S2 Si3 -
Comments: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination Journal of Organic Chemistry 77 (2012) 2929-2934
Space group: P -1
Cell volume: 2270
Cell parameters: 13.753; 14.627; 14.647; 98.458; 110.078; 117.942;  

COD ID: 4027060
CIF file Formula: - C13 H16 Br2 S2 Si2 -
Comments: Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination Journal of Organic Chemistry 77 (2012) 2929-2934
Space group: P 1 21/c 1
Cell volume: 1889.1
Cell parameters: 9.575; 19.537; 10.714; 90; 109.511; 90;  

COD ID: 4027061
CIF file Formula: - C10 H15 Cl8 Ir O5 Sn3 -
Comments: Arnab Kumar Maity; Sujit Roy A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions Journal of Organic Chemistry 77 (2012) 2935-2941
Space group: P 1 21/a 1
Cell volume: 2817.6
Cell parameters: 9.5026; 34.1358; 9.7418; 90; 116.922; 90;  

COD ID: 4027062
CIF file Formula: - C15 H13 N O S -
Comments: Arnab Kumar Maity; Sujit Roy A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions Journal of Organic Chemistry 77 (2012) 2935-2941
Space group: P c 21 n
Cell volume: 1308.3
Cell parameters: 5.985; 7.913; 27.626; 90; 90; 90;  

COD ID: 4027063
CIF file Formula: - C12 H16 Cl N4 O -
Comments: Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates Journal of Organic Chemistry 77 (2012) 2649-2658
Space group: P 1 21/n 1
Cell volume: 1283.76
Cell parameters: 10.4119; 12.2748; 10.7295; 90; 110.58; 90;  

COD ID: 4027064
CIF file Formula: - C11 H11 N3 O -
Comments: Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates Journal of Organic Chemistry 77 (2012) 2649-2658
Space group: P 1 21/n 1
Cell volume: 903.32
Cell parameters: 5.80481; 14.0954; 11.0624; 90; 93.634; 90;  

COD ID: 4027065
CIF file Formula: - C13 H17 N O2 Se -
Comments: T. M. Vishwanatha; N. Narendra; Basab Chattopadhyay; Monika Mukherjee; Vommina V. Sureshbabu Synthesis of Selenoxo Peptides and Oligoselenoxo Peptides Employing LiAlHSeH Journal of Organic Chemistry 77 (2012) 2689-2702
Space group: P -1
Cell volume: 697.7
Cell parameters: 8.872; 9.192; 10.178; 103.813; 110.457; 105.347;  

COD ID: 4027066
CIF file Formula: - C21 H17 Br N2 O4 -
Comments: Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea Journal of Organic Chemistry 77 (2012) 2947-2953
Space group: P 21 21 21
Cell volume: 1934
Cell parameters: 6.611; 14.222; 20.57; 90; 90; 90;  

COD ID: 4027067
CIF file Formula: - C25 H26 N2 O2 S -
Comments: Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea Journal of Organic Chemistry 77 (2012) 2947-2953
Space group: P 21 21 21
Cell volume: 2092.1
Cell parameters: 9.1977; 10.4095; 21.851; 90; 90; 90;  

COD ID: 4027068
CIF file Formula: - C17 H15 N O2 -
Comments: Hai Xie; Ding Yuan; Ming-Wu Ding Unexpected Synthesis of 2,4,5-Trisubstituted Oxazoles via a Tandem Aza-Wittig/Michael/Isomerization Reaction of Vinyliminophosphorane Journal of Organic Chemistry 77 (2012) 2954-2958
Space group: C 1 2/c 1
Cell volume: 2733.8
Cell parameters: 19.856; 7.346; 20.945; 90; 116.514; 90;  

COD ID: 4027069
CIF file Formula: - C22 H24 O6 -
Comments: Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate Journal of Organic Chemistry 77 (2012) 2959-2965
Space group: P 32
Cell volume: 3066.61
Cell parameters: 9.3573; 9.3573; 40.4414; 90; 90; 120;  

COD ID: 4027070
CIF file Formula: - C41 H44 B N2 O -
Comments: James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents Journal of Organic Chemistry 77 (2012) 2808-2818
Space group: P 1 21/n 1
Cell volume: 3194.7
Cell parameters: 10.969; 19.154; 15.685; 90; 104.199; 90;  

COD ID: 4027071
CIF file Formula: - C41 H43 B Cl2 N2 O -
Comments: James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents Journal of Organic Chemistry 77 (2012) 2808-2818
Space group: P c a n
Cell volume: 6990.44
Cell parameters: 17.718; 19.401; 20.336; 90; 90; 90;  

COD ID: 4027072
CIF file Formula: - C24 H30 Cl N -
Comments: Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction Journal of Organic Chemistry 77 (2012) 2784-2790
Space group: P -1
Cell volume: 973.8
Cell parameters: 8.18; 9.9875; 13.2073; 97.344; 98.122; 111.627;  

COD ID: 4027073
CIF file Formula: - C26 H35 N O -
Comments: Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction Journal of Organic Chemistry 77 (2012) 2784-2790
Space group: P 1 21/c 1
Cell volume: 2152.5
Cell parameters: 18.545; 10.021; 11.5921; 90; 92.327; 90;  

COD ID: 4027074
CIF file Formula: - C30 H39 N -
Comments: Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction Journal of Organic Chemistry 77 (2012) 2784-2790
Space group: P b c a
Cell volume: 4735.5
Cell parameters: 9.7385; 11.6917; 41.5907; 90; 90; 90;  

COD ID: 4027075
CIF file Formula: - C25 H21 Cl3 N4 O4 S2 -
Comments: Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen (Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold Journal of Organic Chemistry 77 (2012) 2791-2797
Space group: P -1
Cell volume: 1374.3
Cell parameters: 10.7931; 11.7407; 12.4871; 116.859; 100.003; 93.089;  

COD ID: 4027076
CIF file Formula: - C27 H28 N4 S6 -
Comments: Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen (Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold Journal of Organic Chemistry 77 (2012) 2791-2797
Space group: C 1 2/c 1
Cell volume: 2864.96
Cell parameters: 14.5105; 13.5453; 15.6906; 90; 111.723; 90;  

COD ID: 4027077
CIF file Formula: - C27 H23 Br Cl2 N2 O3 -
Comments: Eider Aranzamendi; Nuria Sotomayor; Esther Lete Brønsted Acid Catalyzed Enantioselective α-Amidoalkylation in the Synthesis of Isoindoloisoquinolines Journal of Organic Chemistry 77 (2012) 2986-2991
Space group: P 21 21 21
Cell volume: 2435.5
Cell parameters: 8.7283; 12.0028; 23.2475; 90; 90; 90;  

COD ID: 4027078
CIF file Formula: - C16 H11 Cl I N O2 -
Comments: Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations Journal of Organic Chemistry 77 (2012) 2837-2849
Space group: P 1 21/c 1
Cell volume: 1560.5
Cell parameters: 13.0005; 7.0068; 17.8353; 90; 106.159; 90;  

COD ID: 4027079
CIF file Formula: - C22 H14 Br N O2 -
Comments: Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations Journal of Organic Chemistry 77 (2012) 2837-2849
Space group: P 1 21/n 1
Cell volume: 1752
Cell parameters: 6.7473; 9.6146; 27.114; 90; 95.106; 90;  

COD ID: 4027080
CIF file Formula: - C18 H12 F3 N O -
Comments: Lei-Lei Sun; Zhi-Yong Liao; Ri-Yuan Tang; Chen-Liang Deng; Xing-Guo Zhang Palladium and Copper Cocatalyzed Tandem N-H/C-H Bond Functionalization: Synthesis of CF3-Containing Indolo- and Pyrrolo[2,1-a]isoquinolines Journal of Organic Chemistry 77 (2012) 2850-2856
Space group: P 1 21/c 1
Cell volume: 1406.1
Cell parameters: 8.2933; 10.0821; 17.0581; 90; 99.641; 90;  

COD ID: 4027081
CIF file Formula: - C28 H24 F2 O3 S2 -
Comments: José Luis García Ruano; José Antonio Fernández-Salas; M. Carmen Maestro Stereocontrolled Fluorobenzylation of Vinyl Sulfones and α,β-Unsaturated Esters Mediated by a Remote Sulfinyl Group. Synthesis of Functionalized Enantiomerically Pure Benzylic Fluorides Journal of Organic Chemistry 77 (2012) 2893-2900
Space group: P 21 21 21
Cell volume: 2450.1
Cell parameters: 5.488; 15.46; 28.8777; 90; 90; 90;  

COD ID: 4027082
CIF file Formula: - C20 H17 Br F N O2 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 1 21 1
Cell volume: 1840.1
Cell parameters: 8.82088; 17.5456; 11.9169; 90; 93.8914; 90;  

COD ID: 4027083
CIF file Formula: - C22 H19 N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: C 1 2 1
Cell volume: 1902.41
Cell parameters: 17.5575; 5.9446; 19.3228; 90; 109.387; 90;  

COD ID: 4027084
CIF file Formula: - C22 H19 N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1836.74
Cell parameters: 8.5546; 10.315; 20.8151; 90; 90; 90;  

COD ID: 4027085
CIF file Formula: - C21 H16 Cl N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1837.63
Cell parameters: 5.61505; 13.7153; 23.8616; 90; 90; 90;  

COD ID: 4027086
CIF file Formula: - C21 H16 F N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1769.31
Cell parameters: 5.75921; 13.2454; 23.194; 90; 90; 90;  

COD ID: 4027087
CIF file Formula: - C22 H16 F3 N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1936.8
Cell parameters: 5.48038; 14.4143; 24.5178; 90; 90; 90;  

COD ID: 4027088
CIF file Formula: - C22 H19 N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1832.41
Cell parameters: 6.2974; 7.9135; 36.77; 90; 90; 90;  

COD ID: 4027089
CIF file Formula: - C22 H19 N O4 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1876.08
Cell parameters: 5.9669; 8.5395; 36.8188; 90; 90; 90;  

COD ID: 4027090
CIF file Formula: - C22 H19 N O4 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 1 21 1
Cell volume: 924.38
Cell parameters: 8.57844; 5.82241; 18.8022; 90; 100.163; 90;  

COD ID: 4027091
CIF file Formula: - C21 H16 F N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 21 21 21
Cell volume: 1772.13
Cell parameters: 6.36452; 8.11463; 34.3132; 90; 90; 90;  

COD ID: 4027092
CIF file Formula: - C21 H16 F N O3 S -
Comments: Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation Journal of Organic Chemistry 77 (2012) 2911-2923
Space group: P 1 21 1
Cell volume: 895.96
Cell parameters: 8.0346; 6.4023; 17.6979; 90; 100.211; 90;  

COD ID: 4027093
CIF file Formula: - C32 H68 N2 O11 -
Comments: Jae Chul Lee; Subhashree Francis; Dinah Dutta; Vijayalaxmi Gupta; Yan Yang; Jin-Yi Zhu; Joseph S. Tash; Ernst Schönbrunn; Gunda I. Georg Synthesis and Evaluation of Eight- and Four-Membered Iminosugar Analogues as Inhibitors of Testicular Ceramide-Specific Glucosyltransferase, Testicular β-Glucosidase 2, and Other Glycosidases Journal of Organic Chemistry 77 (2012) 3082-3098
Space group: P 1 21 1
Cell volume: 1825.1
Cell parameters: 10.3632; 8.1773; 21.547; 90; 91.751; 90;  

COD ID: 4027094
CIF file Formula: - C27 H35 N9 O9 S5 -
Comments: Rebecca M. Duke; Thomas McCabe; Wolfgang Schmitt; Thorfinnur Gunnlaugsson Recognition and Sensing of Biologically Relevant Anions in Alcohol and Mixed Alcohol-Aqueous Solutions Using Charge Neutral Cleft-Like Glycol-Derived Pyridyl-Amidothiourea Receptors Journal of Organic Chemistry 77 (2012) 3115-3126
Space group: P -1
Cell volume: 3640.4
Cell parameters: 14.495; 15.945; 17.142; 87.527; 68.186; 81.798;  

COD ID: 4027095
CIF file Formula: - C12 H20 O4 -
Comments: Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines Journal of Organic Chemistry 77 (2012) 3538-3542
Space group: P 1 21/n 1
Cell volume: 1120.19
Cell parameters: 7.3934; 15.6929; 10.0693; 90; 106.497; 90;  

COD ID: 4027096
CIF file Formula: - C20 H28 O8 -
Comments: Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines Journal of Organic Chemistry 77 (2012) 3538-3542
Space group: P 1 21/n 1
Cell volume: 2042.84
Cell parameters: 14.2138; 10.0644; 14.4831; 90; 99.6; 90;  

COD ID: 4027097
CIF file Formula: - C24 H20 Br N O2 Se -
Comments: Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents Journal of Organic Chemistry 77 (2012) 3549-3556
Space group: P -1
Cell volume: 2132.1
Cell parameters: 9.2292; 13.5016; 18.493; 72.535; 81.06; 76.979;  

COD ID: 4027098
CIF file Formula: - C19 H17 N O2 Se -
Comments: Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents Journal of Organic Chemistry 77 (2012) 3549-3556
Space group: P 1 21/n 1
Cell volume: 3412.5
Cell parameters: 12.36; 12.862; 22.211; 90; 104.886; 90;  

COD ID: 4027099
CIF file Formula: - C26 H31 Br N2 O9 S -
Comments: Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles Journal of Organic Chemistry 77 (2012) 3589-3594
Space group: I 41
Cell volume: 5607
Cell parameters: 20.639; 20.639; 13.164; 90; 90; 90;  

COD ID: 4027100
CIF file Formula: - C24 H15 N S3 -
Comments: Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles Journal of Organic Chemistry 77 (2012) 3222-3232
Space group: P 21 21 21
Cell volume: 1919.1
Cell parameters: 5.9603; 7.9818; 40.339; 90; 90; 90;  

COD ID: 4027101
CIF file Formula: - C30 H21 N S4 -
Comments: Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles Journal of Organic Chemistry 77 (2012) 3222-3232
Space group: P 21 21 21
Cell volume: 7410.1
Cell parameters: 9.7746; 26.4346; 28.6784; 90; 90; 90;  

COD ID: 4027102
CIF file Formula: - C86 H64 Cl4 O6 P2 -
Comments: Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl Journal of Organic Chemistry 77 (2012) 3595-3597
Space group: P 41
Cell volume: 6897.7
Cell parameters: 11.2117; 11.2117; 54.8735; 90; 90; 90;  

COD ID: 4027103
CIF file Formula: - C35 H54 O6 -
Comments: Gregory K. Friestad; An Ji; Jonas Baltrusaitis; Chandra Sekhar Korapala; Jun Qin Scope of Stereoselective Mn-Mediated Radical Addition to Chiral Hydrazones and Application in a Formal Synthesis of Quinine Journal of Organic Chemistry 77 (2012) 3159-3180
Space group: P 1 21 1
Cell volume: 1672.3
Cell parameters: 11.5379; 10.6801; 13.8158; 90; 100.801; 90;  

COD ID: 4027104
CIF file Formula: - C46 H63 N O5 Si -
Comments: Christian C. Ventocilla; K. A. Woerpel Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes Journal of Organic Chemistry 77 (2012) 3277-3283
Space group: P 21 21 21
Cell volume: 4268.3
Cell parameters: 8.5749; 11.5138; 43.232; 90; 90; 90;  

COD ID: 4027105
CIF file Formula: - C28 H42 O5 Si -
Comments: Christian C. Ventocilla; K. A. Woerpel Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes Journal of Organic Chemistry 77 (2012) 3277-3283
Space group: P -1
Cell volume: 1370
Cell parameters: 11.2829; 12.0507; 12.1302; 115.864; 100.482; 103.034;  

COD ID: 4027106
CIF file Formula: - C31 H46 O7 Si -
Comments: Daniel C. Schmitt; Ericka J. Malow; Jeffrey S. Johnson Three-Component Glycolate Michael Reactions of Enolates, Silyl Glyoxylates, and α,β-Enones Journal of Organic Chemistry 77 (2012) 3246-3251
Space group: P -1
Cell volume: 1549.58
Cell parameters: 9.7554; 10.4301; 16.6303; 77.186; 81.132; 70.517;  

COD ID: 4027107
CIF file Formula: - C11 H13 N5 O2 S -
Comments: Thore Wendler; Christian Schütt; Christian Näther; Rainer Herges Photoswitchable Azoheterocycles via Coupling of Lithiated Imidazoles with Benzenediazonium Salts Journal of Organic Chemistry 77 (2012) 3284-3287
Space group: P 1 21/c 1
Cell volume: 1301.29
Cell parameters: 14.0124; 6.3282; 15.2728; 90; 106.082; 90;  

COD ID: 4027108
CIF file Formula: - C47 H29 Cl6 F3 N4 Ni -
Comments: Fei Hao; Hua-Wei Jiang; Guoqiang Zong; Zhiguo Zhou; Ruo-Bing Du; Qing-Yun Chen; Ji-Chang Xiao Electrophilic Fluoroalkylation of Ni(II) N-Confused Porphyrins with Fluoroalkylarylsulfonium Salts Journal of Organic Chemistry 77 (2012) 3604-3608
Space group: P -1
Cell volume: 2145.7
Cell parameters: 10.989; 15.032; 15.109; 119.832; 96.649; 90;  

COD ID: 4027109
CIF file Formula: - C52 H80 Br2 O2 P4 Pt2 -
Comments: Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly Journal of Organic Chemistry 77 (2012) 3426-3432
Space group: P 1 21/c 1
Cell volume: 11203.2
Cell parameters: 16.4794; 45.447; 16.3605; 90; 113.891; 90;  

COD ID: 4027110
CIF file Formula: - C22 H23 N O6 -
Comments: Le Chang; Hao Jiang; Junkai Fu; Bin Liu; Chuang-chuang Li; Zhen Yang Synthesizing the Tetracyclic Core of Nanolobatolide Journal of Organic Chemistry 77 (2012) 3609-3614
Space group: P -1
Cell volume: 984
Cell parameters: 6.503; 12.1809; 13.9183; 66.72; 82.58; 76.52;  

COD ID: 4027111
CIF file Formula: - C41 H69 Cl N2 O8 -
Comments: Yong-Li Zhong; Donald R. Gauthier; Yao-Jun Shi; Mark McLaughlin; John Y. L. Chung; Philippe Dagneau; Benjamin Marcune; Shane W. Krska; Richard G. Ball; Robert A. Reamer; Nobuyoshi Yasuda Synthesis of Antifungal Glucan Synthase Inhibitors from Enfumafungin Journal of Organic Chemistry 77 (2012) 3297-3310
Space group: P 1 21 1
Cell volume: 2044.84
Cell parameters: 16.1486; 6.845; 18.5516; 90; 94.31; 90;  

COD ID: 4027112
CIF file Formula: - C22 H19 N O3 -
Comments: Zhigang She; Dongyue Niu; Lei Chen; Maria A. Gunawan; Xhesika Shanja; William H. Hersh; Yu Chen Synthesis of Trisubstituted Isoxazoles by Palladium(II)-Catalyzed Cascade Cyclization-Alkenylation of 2-Alkyn-1-one O-Methyl Oximes Journal of Organic Chemistry 77 (2012) 3627-3633
Space group: C 1 2/c 1
Cell volume: 3460.4
Cell parameters: 31.219; 6.121; 18.877; 90; 106.402; 90;  

COD ID: 4027113
CIF file Formula: - C20 H23 Br N2 O2 S -
Comments: Wenjin Yan; Dong Wang; Jingchao Feng; Peng Li; Rui Wang Zinc-Mediated Diastereoselective Synthesis of 3-Amino Oxindoles by Addition of Methyl and Terminal Alkynes to N-tert-Butanesulfinyl Ketimines Journal of Organic Chemistry 77 (2012) 3311-3317
Space group: P 21 21 21
Cell volume: 2068
Cell parameters: 9.959; 10.162; 20.434; 90; 90; 90;  

COD ID: 4027114
CIF file Formula: - C38 H33 Fe N3 P2 -
Comments: Takashi Konno; Kenta Shimizu; Kenichi Ogata; Shin-ichi Fukuzawa Rhodium-Catalyzed Enantioselective Hydrogenation of Unsaturated Phosphonates by Click Ferrophos Ligands Journal of Organic Chemistry 77 (2012) 3318-3324
Space group: P 21 21 21
Cell volume: 3157.9
Cell parameters: 10.0888; 16.229; 19.287; 90; 90; 90;  

COD ID: 4027115
CIF file Formula: - C8 H12 Cl Cu N4 O4 -
Comments: Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources Journal of Organic Chemistry 77 (2012) 3336-3340
Space group: P n a 21
Cell volume: 4091
Cell parameters: 23.957; 8.3528; 20.444; 90; 90; 90;  

COD ID: 4027116
CIF file Formula: - C20 H28 O3 Se -
Comments: Ping Cheng; Derrick L. J. Clive Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement Journal of Organic Chemistry 77 (2012) 3348-3364
Space group: P 1 21 1
Cell volume: 1916.8
Cell parameters: 10.8582; 9.0165; 19.867; 90; 99.776; 90;  

COD ID: 4027117
CIF file Formula: - C34 H55 N O6 Si -
Comments: Ping Cheng; Derrick L. J. Clive Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement Journal of Organic Chemistry 77 (2012) 3348-3364
Space group: P 1 21 1
Cell volume: 1783.1
Cell parameters: 12.547; 8.87; 16.302; 90; 100.639; 90;  


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