Crystallography Open Database

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Searching journal of publication like 'Journal of Organic Chemistry' volume of publication is 76

COD ID: 4025918
CIF file Formula: - C20 H18 F6 N12 O5 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P 1 21/c 1
Cell volume: 2359.7
Cell parameters: 17.419; 7.4383; 19.102; 90; 107.558; 90;  

COD ID: 4025919
CIF file Formula: - C23 H27 Cl3 N12 O2 S2 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P -1
Cell volume: 1379.16
Cell parameters: 9.4341; 9.6042; 16.7333; 95.152; 98.059; 111.604;  

COD ID: 4025920
CIF file Formula: - C20 H26 N12 O2 S2 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P 1 21/c 1
Cell volume: 2424.5
Cell parameters: 7.9366; 16.99; 19.563; 90; 113.204; 90;  

COD ID: 4025921
CIF file Formula: - C30 H21 F21 N12 O14 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P 1 21/c 1
Cell volume: 4325.7
Cell parameters: 18.1219; 15.1818; 17.9876; 90; 119.062; 90;  

COD ID: 4025922
CIF file Formula: - C18 H22 N12 O2 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P 1 2/c 1
Cell volume: 1003.28
Cell parameters: 15.4348; 5.1653; 12.6502; 90; 95.858; 90;  

COD ID: 4025923
CIF file Formula: - C59 H56 Cl2 N36 O2 S2 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P -1
Cell volume: 4351.5
Cell parameters: 14.5409; 14.7369; 21.9376; 84.221; 82.535; 69.26;  

COD ID: 4025924
CIF file Formula: - C22 H26 N12 O2 S2 -
Comments: Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines Journal of Organic Chemistry 76 (2011) 1333-1341
Space group: P -1
Cell volume: 1292.07
Cell parameters: 11.0524; 11.1745; 11.6989; 88.33; 67.213; 76.467;  

COD ID: 4025925
CIF file Formula: - C27 H22 -
Comments: Curtis J. Rieder; Karl J. Winberg; F. G. West Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement Journal of Organic Chemistry 76 (2011) 50-56
Space group: P b c n
Cell volume: 2041.6
Cell parameters: 15.8798; 15.026; 8.5564; 90; 90; 90;  

COD ID: 4025926
CIF file Formula: - C40 H72 Li4 O8 -
Comments: Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound Journal of Organic Chemistry 76 (2011) 65-70
Space group: P 1 21/c 1
Cell volume: 4542.9
Cell parameters: 19.739; 11.6636; 19.941; 90; 98.303; 90;  

COD ID: 4025927
CIF file Formula: - C19 H28 O3 -
Comments: Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound Journal of Organic Chemistry 76 (2011) 65-70
Space group: C 1 2/c 1
Cell volume: 6711
Cell parameters: 45.395; 9.133; 16.71; 90; 104.389; 90;  

COD ID: 4025928
CIF file Formula: - C17 H22 O3 -
Comments: Ya-Ping Xue; Wei-Dong Z. Li Formal Total Synthesis of (±)-Estrone via the Furano Diene Approach Journal of Organic Chemistry 76 (2011) 57-64
Space group: P c a 21
Cell volume: 2810.9
Cell parameters: 14.159; 6.4481; 30.788; 90; 90; 90;  

COD ID: 4025929
CIF file Formula: - C17 H22 O3 -
Comments: Ya-Ping Xue; Wei-Dong Z. Li Formal Total Synthesis of (±)-Estrone via the Furano Diene Approach Journal of Organic Chemistry 76 (2011) 57-64
Space group: P -1
Cell volume: 683.3
Cell parameters: 5.4774; 9.2965; 13.809; 101.285; 96.906; 92.077;  

COD ID: 4025930
CIF file Formula: - C22 H30 Br N O3 -
Comments: Ya-Ping Xue; Wei-Dong Z. Li Formal Total Synthesis of (±)-Estrone via the Furano Diene Approach Journal of Organic Chemistry 76 (2011) 57-64
Space group: P -1
Cell volume: 1052.5
Cell parameters: 6.464; 12.269; 13.6975; 83.627; 81.274; 79.7;  

COD ID: 4025931
CIF file Formula: - C22 H30 Br N O3 -
Comments: Ya-Ping Xue; Wei-Dong Z. Li Formal Total Synthesis of (±)-Estrone via the Furano Diene Approach Journal of Organic Chemistry 76 (2011) 57-64
Space group: P b c a
Cell volume: 4268.1
Cell parameters: 14.528; 13.544; 21.691; 90; 90; 90;  

COD ID: 4025932
CIF file Formula: - C17 H24 O5 -
Comments: Ya-Ping Xue; Wei-Dong Z. Li Formal Total Synthesis of (±)-Estrone via the Furano Diene Approach Journal of Organic Chemistry 76 (2011) 57-64
Space group: P 1 21/c 1
Cell volume: 1499
Cell parameters: 10.137; 7.272; 20.597; 90; 99.252; 90;  

COD ID: 4025933
CIF file Formula: - C15 H16 Br N O5 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P 1 21/n 1
Cell volume: 1495.7
Cell parameters: 13.6954; 6.38506; 17.6341; 90; 104.081; 90;  

COD ID: 4025934
CIF file Formula: - C15 H13 Br F4 O3 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P -1
Cell volume: 741.2
Cell parameters: 6.57204; 10.0357; 11.8115; 95.809; 94.674; 105.721;  

COD ID: 4025935
CIF file Formula: - C15 H16 Br N O5 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P 1 21/n 1
Cell volume: 1514.59
Cell parameters: 11.91851; 6.03915; 21.21; 90; 97.2047; 90;  

COD ID: 4025936
CIF file Formula: - C15 H13 Br F4 O3 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P 1 21/c 1
Cell volume: 1516.63
Cell parameters: 11.0594; 6.8012; 20.1769; 90; 92.102; 90;  

COD ID: 4025937
CIF file Formula: - C8 H12 Br Cl O -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: C 1 2/c 1
Cell volume: 901.49
Cell parameters: 13.0338; 9.1341; 7.5874; 90; 93.62; 90;  

COD ID: 4025938
CIF file Formula: - C15 H17 Br O3 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P 1 21/m 1
Cell volume: 1392.1
Cell parameters: 11.1774; 7.41636; 17.15108; 90; 101.722; 90;  

COD ID: 4025939
CIF file Formula: - C15 H16 Br N O5 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P 1 21/n 1
Cell volume: 1463.07
Cell parameters: 7.0794; 31.7774; 7.32126; 90; 117.338; 90;  

COD ID: 4025940
CIF file Formula: - C15 H13 Br F4 O3 -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P b c a
Cell volume: 2926.56
Cell parameters: 7.08444; 13.3213; 31.0102; 90; 90; 90;  

COD ID: 4025941
CIF file Formula: - C8 H12 Br Cl O -
Comments: Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile Journal of Organic Chemistry 76 (2011) 97-104
Space group: P n m a
Cell volume: 898.53
Cell parameters: 12.6909; 8.761; 8.0814; 90; 90; 90;  

COD ID: 4025942
CIF file Formula: - C15 H16 Cl N O4 -
Comments: Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations Journal of Organic Chemistry 76 (2011) 2-12
Space group: P 1 21/n 1
Cell volume: 2861.6
Cell parameters: 15.516; 11.029; 16.725; 90; 91.007; 90;  

COD ID: 4025943
CIF file Formula: - C15 H20 Cl N O4 -
Comments: Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations Journal of Organic Chemistry 76 (2011) 2-12
Space group: P 1 21 1
Cell volume: 1509.26
Cell parameters: 10.6099; 10.7142; 13.7817; 90; 105.557; 90;  

COD ID: 4025944
CIF file Formula: - C19 H15 Br O4 -
Comments: Ying Cheng; Jing An; Liang-Qiu Lu; Lan Luo; Zheng-Yi Wang; Jia-Rong Chen; Wen-Jing Xiao Asymmetric Cyclopropanation of β,γ-Unsaturated α-Ketoesters with Stabilized Sulfur Ylides Catalyzed by C2-Symmetric Ureas Journal of Organic Chemistry 76 (2011) 281-284
Space group: P 21 21 21
Cell volume: 1695.8
Cell parameters: 5.6153; 16.599; 18.194; 90; 90; 90;  

COD ID: 4025945
CIF file Formula: - C21 H25 N O4 -
Comments: Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P. 1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies The Journal of Organic Chemistry 76(1) (2011) 127-137
Space group: P 21 21 21
Cell volume: 2042.8
Cell parameters: 7.594; 9.67; 27.818; 90; 90; 90;  

COD ID: 4025946
CIF file Formula: - C68 H82 N2 O10.5 -
Comments: Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P. 1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies The Journal of Organic Chemistry 76(1) (2011) 127-137
Space group: P 1 21 1
Cell volume: 6413.6
Cell parameters: 14.4663; 26.1325; 17.0631; 90; 96.133; 90;  

COD ID: 4025947
CIF file Formula: - C70 H91 N2 O13 S2 -
Comments: Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P. 1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies The Journal of Organic Chemistry 76(1) (2011) 127-137
Space group: P 1 21 1
Cell volume: 3323.2
Cell parameters: 12.4869; 21.3283; 13.0729; 90; 107.35; 90;  

COD ID: 4025948
CIF file Formula: - C39 H44 F6 N2 O10 P -
Comments: Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das Folding and Unfolding Movements in a [2]Pseudorotaxane Journal of Organic Chemistry 76 (2011) 138-144
Space group: C 1 2/m 1
Cell volume: 4569.1
Cell parameters: 32.186; 11.5459; 12.7286; 90; 104.996; 90;  

COD ID: 4025949
CIF file Formula: - C33 H21 Cl3 O2 -
Comments: Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene Journal of Organic Chemistry 76 (2011) 293-296
Space group: P 1 21/n 1
Cell volume: 2630.4
Cell parameters: 12.65; 14.152; 15.8; 90; 111.575; 90;  

COD ID: 4025950
CIF file Formula: - C26 H16 O3 -
Comments: Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene Journal of Organic Chemistry 76 (2011) 293-296
Space group: P 1 21/a 1
Cell volume: 1823.4
Cell parameters: 12.979; 8.4621; 16.92; 90; 101.129; 90;  

COD ID: 4025951
CIF file Formula: - C32 H32 O3 Si2 -
Comments: Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene Journal of Organic Chemistry 76 (2011) 293-296
Space group: P n m a
Cell volume: 2698.29
Cell parameters: 12.2401; 18.7937; 11.7298; 90; 90; 90;  

COD ID: 4025952
CIF file Formula: - C10 H12 Br N3 -
Comments: Dirk Meyer; Thomas Strassner 1,2,4-Triazole-Based Tunable Aryl/Alkyl Ionic Liquids Journal of Organic Chemistry 76 (2011) 305-308
Space group: P 1 21/c 1
Cell volume: 1100.6
Cell parameters: 8.239; 16.923; 7.936; 90; 95.924; 90;  

COD ID: 4025953
CIF file Formula: - C16 H19 N O4 -
Comments: Alexandre Drouin; Dana K. Winter; Simon Pichette; Samuel Aubert-Nicol; Jean Lessard; Claude Spino Photochemical Rearrangement of N-Mesyloxylactams: Stereospecific Formation of N-Heterocycles Journal of Organic Chemistry 76 (2011) 164-169
Space group: P 1 21/c 1
Cell volume: 1436.3
Cell parameters: 10.449; 5.8194; 23.624; 90; 91.05; 90;  

COD ID: 4025954
CIF file Formula: - C20 H10 F7 N O6 S4 -
Comments: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors Journal of Organic Chemistry 76 (2011) 154-163
Space group: P -1
Cell volume: 2423.5
Cell parameters: 8.6082; 13.6635; 21.298; 97.782; 90.026; 102.338;  

COD ID: 4025955
CIF file Formula: - C23 H12 F3 N O6 S4 -
Comments: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors Journal of Organic Chemistry 76 (2011) 154-163
Space group: P -1
Cell volume: 1194.8
Cell parameters: 7.9267; 8.4428; 18.761; 85.534; 78.675; 76.174;  

COD ID: 4025956
CIF file Formula: - C18 H10 F3 N O6 S4 -
Comments: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors Journal of Organic Chemistry 76 (2011) 154-163
Space group: P -1
Cell volume: 986.4
Cell parameters: 7.893; 8.096; 16.569; 92.716; 100.458; 107.625;  

COD ID: 4025957
CIF file Formula: - C19 H15 N O6 S4 -
Comments: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors Journal of Organic Chemistry 76 (2011) 154-163
Space group: P -1
Cell volume: 1025.8
Cell parameters: 8.796; 9.291; 13.986; 74.506; 89.266; 69.251;  

COD ID: 4025958
CIF file Formula: - C14 H10 O4 S4 -
Comments: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors Journal of Organic Chemistry 76 (2011) 154-163
Space group: P 1 21/n 1
Cell volume: 3089.83
Cell parameters: 8.3891; 10.8253; 34.158; 90; 95.085; 90;  

COD ID: 4025959
CIF file Formula: - C58 H50 N8 O8 -
Comments: Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc Absolute Control of Helical Handedness in Quinoline Oligoamides Journal of Organic Chemistry 76 (2011) 195-200
Space group: P 1 21 1
Cell volume: 2670.4
Cell parameters: 8.7378; 30.43; 10.316; 90; 103.209; 90;  

COD ID: 4025960
CIF file Formula: - C110 H124 N12 O19.5 -
Comments: Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc Absolute Control of Helical Handedness in Quinoline Oligoamides Journal of Organic Chemistry 76 (2011) 195-200
Space group: P 1 21 1
Cell volume: 10303
Cell parameters: 13.94; 13.983; 52.858; 90; 90.15; 90;  

COD ID: 4025961
CIF file Formula: - C35 H28 B10 F12 O -
Comments: Kenta Kokado; Yoshiki Chujo Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane Journal of Organic Chemistry 76 (2011) 316-319
Space group: P -1
Cell volume: 1819.3
Cell parameters: 11.2296; 11.7774; 14.126; 102.296; 91.591; 93.968;  

COD ID: 4025962
CIF file Formula: - C31 H29 B10 Cl3 -
Comments: Kenta Kokado; Yoshiki Chujo Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane Journal of Organic Chemistry 76 (2011) 316-319
Space group: P -1
Cell volume: 1587.6
Cell parameters: 10.4393; 12.2198; 14.1016; 98.984; 106.723; 107.19;  

COD ID: 4025963
CIF file Formula: - C32 H32 B10 -
Comments: Kenta Kokado; Yoshiki Chujo Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane Journal of Organic Chemistry 76 (2011) 316-319
Space group: P -1
Cell volume: 1454.8
Cell parameters: 8.2198; 10.281; 18.703; 99.832; 91.778; 110.184;  

COD ID: 4025964
CIF file Formula: - C32 H32 B10 O2 -
Comments: Kenta Kokado; Yoshiki Chujo Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane Journal of Organic Chemistry 76 (2011) 316-319
Space group: P -1
Cell volume: 1487.9
Cell parameters: 8.503; 10.1555; 18.029; 83.84; 86.802; 74.078;  

COD ID: 4025965
CIF file Formula: - C21 H13 I N2 -
Comments: Huang-Che Ouyang; Ri-Yuan Tang; Ping Zhong; Xing-Guo Zhang; Jin-Heng Li CuI/I2-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with ortho-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles Journal of Organic Chemistry 76 (2011) 223-228
Space group: P 1 21/n 1
Cell volume: 1625.2
Cell parameters: 9.0443; 16.3435; 11.2531; 90; 102.295; 90;  

COD ID: 4025966
CIF file Formula: - C58 H56 O12 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: P -1
Cell volume: 2547
Cell parameters: 10.529; 15.041; 17.359; 111.84; 90.489; 92.944;  

COD ID: 4025967
CIF file Formula: - C29 H28 O6 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: P 1 21/c 1
Cell volume: 2467.4
Cell parameters: 19.5178; 8.2127; 15.4641; 90; 95.498; 90;  

COD ID: 4025968
CIF file Formula: - C29 H28 O6 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: P -1
Cell volume: 1263.8
Cell parameters: 9.752; 11.53; 13.417; 106.912; 101.977; 110.918;  

COD ID: 4025969
CIF file Formula: - C22 H23 Cl O5 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: P -1
Cell volume: 1051.1
Cell parameters: 9.2997; 11.2333; 11.47; 109.92; 101.435; 102.394;  

COD ID: 4025970
CIF file Formula: - C29 H26 Cl2 O6 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: P -1
Cell volume: 1340.9
Cell parameters: 8.565; 10.946; 14.765; 77.125; 89.991; 83.694;  

COD ID: 4025971
CIF file Formula: - C30 H30 O7 -
Comments: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans Journal of Organic Chemistry 76 (2011) 229-233
Space group: C 1 c 1
Cell volume: 2625.8
Cell parameters: 25.425; 8.233; 16.032; 90; 128.514; 90;  

COD ID: 4025972
CIF file Formula: - C47 H54 O14 -
Comments: Tomoki Ogoshi; Takamichi Aoki; Keisuke Kitajima; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto Facile, Rapid, and High-Yield Synthesis of Pillar[5]arene from Commercially Available Reagents and Its X-ray Crystal Structure Journal of Organic Chemistry 76 (2011) 328-331
Space group: P -1
Cell volume: 2163.6
Cell parameters: 9.858; 12.708; 17.854; 103.988; 93.374; 92.078;  

COD ID: 4025973
CIF file Formula: - C19 H19 N O3 -
Comments: Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang Platinum/Scandium-Cocatalyzed Cascade Cyclization and Ring-Opening Reaction of Tertiary Amines with Substituted Salicylaldehydes to Synthesize 3-(Aminoalkyl)coumarins Journal of Organic Chemistry 76 (2011) 342-345
Space group: P 1 21/n 1
Cell volume: 1590.57
Cell parameters: 7.4632; 22.1589; 9.6495; 90; 94.64; 90;  

COD ID: 4025974
CIF file Formula: - C17 H18 O4 -
Comments: Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives Journal of Organic Chemistry 76 (2011) 441-449
Space group: P 1 21/n 1
Cell volume: 1497
Cell parameters: 14.9767; 5.8222; 17.535; 90; 101.735; 90;  

COD ID: 4025975
CIF file Formula: - C20 H22 Cl N O2 S -
Comments: Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives Journal of Organic Chemistry 76 (2011) 441-449
Space group: P 1 21/n 1
Cell volume: 1874.4
Cell parameters: 17.771; 5.337; 20.316; 90; 103.394; 90;  

COD ID: 4025976
CIF file Formula: - C13 H12 N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P 1 21/n 1
Cell volume: 1189.86
Cell parameters: 8.7484; 14.5938; 9.8507; 90; 108.899; 90;  

COD ID: 4025977
CIF file Formula: - C14 H16 N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P 1 21/c 1
Cell volume: 1280
Cell parameters: 6.74; 12.46; 15.25; 90; 91.77; 90;  

COD ID: 4025978
CIF file Formula: - C14 H16 N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P -1
Cell volume: 1340.98
Cell parameters: 6.313; 10.453; 20.321; 90.038; 90.026; 90.037;  

COD ID: 4025979
CIF file Formula: - C19 H26 N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P -1
Cell volume: 877.97
Cell parameters: 7.5626; 10.9151; 11.7483; 108.667; 98.922; 100.822;  

COD ID: 4025980
CIF file Formula: - C19 H26 N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P 1 21/n 1
Cell volume: 1812.5
Cell parameters: 13.0697; 7.719; 18.146; 90; 98.078; 90;  

COD ID: 4025981
CIF file Formula: - C11 H9 Cl N2 O4 -
Comments: Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling Journal of Organic Chemistry 76 (2011) 424-434
Space group: P -1
Cell volume: 579.96
Cell parameters: 7.6607; 7.7335; 10.9132; 106.496; 96.783; 106.6;  

COD ID: 4025982
CIF file Formula: - C18 H19 N O5 -
Comments: Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction Journal of Organic Chemistry 76 (2011) 358-372
Space group: P 1 21 1
Cell volume: 792.22
Cell parameters: 5.6403; 7.5628; 18.575; 90; 91; 90;  

COD ID: 4025983
CIF file Formula: - C15 H21 N O5 -
Comments: Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction Journal of Organic Chemistry 76 (2011) 358-372
Space group: P 21 21 21
Cell volume: 1530.41
Cell parameters: 5.2982; 10.8741; 26.5635; 90; 90; 90;  

COD ID: 4025984
CIF file Formula: - C11 H11 N O4 -
Comments: Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction Journal of Organic Chemistry 76 (2011) 358-372
Space group: P 1 21 1
Cell volume: 514
Cell parameters: 8.2984; 5.8941; 11.0767; 90; 108.428; 90;  

COD ID: 4025985
CIF file Formula: - C20 H26 O3 S -
Comments: Sadagopan Raghavan; Vaddela Sudheer Babu; B. Sridhar Mercury(II)-Mediated Cleavage of Cyclopropylcarbinols by an Intramolecular Sulfinyl Group as a Stereo- and Regioselective Route to Stereotriads and Stereotetrads Journal of Organic Chemistry 76 (2011) 557-565
Space group: P 1 21 1
Cell volume: 1984.05
Cell parameters: 10.2606; 6.0075; 32.542; 90; 98.465; 90;  

COD ID: 4025986
CIF file

HKL data

 Formula: - C28 H20 B0 F0 N O0 P -
Comments: Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides Journal of Organic Chemistry 76 (2011) 566-572
Space group: P -1
Cell volume: 1052.6
Cell parameters: 8.767; 8.8718; 15.547; 93.997; 115.68; 101.219;  

COD ID: 4025987
CIF file Formula: - C13 H16 O5 -
Comments: Nayan Ghosh; Sanatan Nayak; Akhila K. Sahoo Gold-Catalyzed Regioselective Hydration of Propargyl Acetates Assisted by a Neighboring Carbonyl Group: Access to α-Acyloxy Methyl Ketones and Synthesis of (±)-Actinopolymorphol B Journal of Organic Chemistry 76 (2011) 500-511
Space group: P 1 21/c 1
Cell volume: 1296.7
Cell parameters: 6.9349; 23.64; 8.4832; 90; 111.194; 90;  

COD ID: 4025988
CIF file Formula: - C16 H10 Br N O2 -
Comments: Claudia De Fusco; Consiglia Tedesco; Alessandra Lattanzi Organocatalytic Stereoselective Epoxidation of Trisubstituted Acrylonitriles Journal of Organic Chemistry 76 (2011) 676-679
Space group: P 1 21 1
Cell volume: 700.8
Cell parameters: 8.132; 8.188; 10.529; 90; 91.449; 90;  

COD ID: 4025989
CIF file Formula: - C62 H60 F6 N6 Ni2 O6 -
Comments: Jiang Wang; Daizong Lin; Shengbin Zhou; Xiao Ding; Vadim A. Soloshonok; Hong Liu Asymmetric Synthesis of Sterically and Electronically Demanding Linear ω-Trifluoromethyl Containing Amino Acids via Alkylation of Chiral Equivalents of Nucleophilic Glycine and Alanine Journal of Organic Chemistry 76 (2011) 684-687
Space group: P 1 21 1
Cell volume: 2884
Cell parameters: 11.393; 22.375; 11.623; 90; 103.254; 90;  

COD ID: 4025990
CIF file Formula: - C18 H22 N2 O4 -
Comments: Wei Wang; Sarah Ollio; Eberhardt Herdtweck; Alexander Dömling Polycyclic Compounds by Ugi-Pictet-Spengler Sequence Journal of Organic Chemistry 76 (2011) 637-644
Space group: P 1 21/c 1
Cell volume: 1640.23
Cell parameters: 10.2111; 13.3943; 12.677; 90; 108.913; 90;  

COD ID: 4025991
CIF file Formula: - C9 H8 N2 O -
Comments: Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction Journal of Organic Chemistry 76 (2011) 696-699
Space group: P 1 21 1
Cell volume: 366.6
Cell parameters: 3.883; 13.708; 6.933; 90; 96.545; 90;  

COD ID: 4025992
CIF file Formula: - C18 H10 O2 -
Comments: Mallesh Beesu; Mariappan Periasamy Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes Journal of Organic Chemistry 76 (2011) 543-549
Space group: P 1 21/c 1
Cell volume: 1334.26
Cell parameters: 11.7943; 15.034; 7.5926; 90; 97.664; 90;  

COD ID: 4025993
CIF file Formula: - C26 H16 Fe2 O10 -
Comments: Mallesh Beesu; Mariappan Periasamy Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes Journal of Organic Chemistry 76 (2011) 543-549
Space group: P 1 21/c 1
Cell volume: 2603.8
Cell parameters: 16.411; 18.877; 8.4637; 90; 96.75; 90;  

COD ID: 4025994
CIF file Formula: - C18 H27 N3 O4 -
Comments: Valérie Declerck; David J. Aitken N-Aminoazetidinecarboxylic Acid: Direct Access to a Small-Ring Hydrazino Acid Journal of Organic Chemistry 76 (2011) 708-711
Space group: P 21 21 21
Cell volume: 1876.66
Cell parameters: 10.1709; 10.2671; 17.9713; 90; 90; 90;  

COD ID: 4025995
CIF file Formula: - C17 H31 Cl2 Cu N3 -
Comments: Yirong Zhou; Junfang Dong; Fanglin Zhang; Yuefa Gong Synthesis of C1-Symmetric Chiral Secondary Diamines and Their Applications in the Asymmetric Copper(II)-Catalyzed Henry (Nitroaldol) Reactions Journal of Organic Chemistry 76 (2011) 588-600
Space group: P 21 21 21
Cell volume: 2023.6
Cell parameters: 10.598; 12.828; 14.885; 90; 90; 90;  

COD ID: 4025996
CIF file Formula: - C34 H8 Br2 F8 N4 -
Comments: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes Journal of Organic Chemistry 76 (2011) 609-617
Space group: P 1 21/c 1
Cell volume: 1333.4
Cell parameters: 3.7285; 30.356; 11.801; 90; 93.334; 90;  

COD ID: 4025997
CIF file Formula: - C36 H16 F6 N4 -
Comments: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes Journal of Organic Chemistry 76 (2011) 609-617
Space group: P 1 21/n 1
Cell volume: 2635.6
Cell parameters: 10.2372; 7.3908; 34.902; 90; 93.567; 90;  

COD ID: 4025998
CIF file Formula: - C34 H14 F4 N4 -
Comments: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes Journal of Organic Chemistry 76 (2011) 609-617
Space group: P -1
Cell volume: 1175.53
Cell parameters: 6.9689; 10.5536; 16.8584; 82.549; 86.086; 73.071;  

COD ID: 4025999
CIF file Formula: - C34 H8 F10 N4 -
Comments: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes Journal of Organic Chemistry 76 (2011) 609-617
Space group: P 1 21/n 1
Cell volume: 1204.9
Cell parameters: 11.602; 3.726; 28.062; 90; 96.652; 90;  

COD ID: 4026000
CIF file Formula: - C50 H16 F34 N4 O16 -
Comments: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes Journal of Organic Chemistry 76 (2011) 609-617
Space group: P -1
Cell volume: 1428.5
Cell parameters: 7.985; 11.766; 16.176; 80.477; 79.834; 74.24;  

COD ID: 4026001
CIF file Formula: - C18 H16 N2 -
Comments: Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles Journal of Organic Chemistry 76 (2011) 744-747
Space group: P 1 21/c 1
Cell volume: 1397.9
Cell parameters: 11.2936; 7.2657; 17.145; 90; 96.463; 90;  

COD ID: 4026002
CIF file Formula: - C18 H18 N2 -
Comments: Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles Journal of Organic Chemistry 76 (2011) 744-747
Space group: P -1
Cell volume: 725.3
Cell parameters: 7.4091; 10.304; 10.827; 65.477; 74.681; 83.961;  

COD ID: 4026003
CIF file Formula: - C13 H18 N2 O -
Comments: Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles Journal of Organic Chemistry 76 (2011) 744-747
Space group: P 1 21/c 1
Cell volume: 1222
Cell parameters: 8.3; 17.24; 8.57; 90; 94.73; 90;  

COD ID: 4026004
CIF file Formula: - C46 H28 Cl4 O8 -
Comments: Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles Journal of Organic Chemistry 76 (2011) 971-973
Space group: C 1 2/c 1
Cell volume: 7598
Cell parameters: 40.421; 11.179; 16.906; 90; 95.979; 90;  

COD ID: 4026005
CIF file Formula: - C45 H44 O7 -
Comments: Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles Journal of Organic Chemistry 76 (2011) 971-973
Space group: R -3 :H
Cell volume: 5863
Cell parameters: 15.849; 15.849; 26.95; 90; 90; 120;  

COD ID: 4026006
CIF file Formula: - C94 H88 Cl12 O12 -
Comments: Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles Journal of Organic Chemistry 76 (2011) 971-973
Space group: R -3 :H
Cell volume: 6700.3
Cell parameters: 16.6442; 16.6442; 27.928; 90; 90; 120;  

COD ID: 4026007
CIF file Formula: - C19 H25 N3 O3 -
Comments: Alessandro Sacchetti; Alessandra Silvani; Giordano Lesma; Tullio Pilati Phe-Ala-Based Diazaspirocyclic Lactam as Nucleator of Type II' β-Turn Journal of Organic Chemistry 76 (2011) 833-839
Space group: P 21 21 21
Cell volume: 1821.1
Cell parameters: 10.234; 12.588; 14.136; 90; 90; 90;  

COD ID: 4026008
CIF file Formula: - C9 H16 O3 -
Comments: Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry 76 (2011) 840-845
Space group: P 1 21 1
Cell volume: 474.4
Cell parameters: 4.73; 11.618; 8.805; 90; 101.32; 90;  

COD ID: 4026009
CIF file Formula: - C9 H16 O3 -
Comments: Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry 76 (2011) 840-845
Space group: P 1 21 1
Cell volume: 496.1
Cell parameters: 4.751; 11.952; 8.898; 90; 100.92; 90;  

COD ID: 4026010
CIF file Formula: - C10 H18 O3 -
Comments: Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry 76 (2011) 840-845
Space group: P 1 21 1
Cell volume: 1058.57
Cell parameters: 8.003; 11.3185; 11.6939; 90; 92.069; 90;  

COD ID: 4026011
CIF file Formula: - C15 H28 O3 -
Comments: Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide Journal of Organic Chemistry 76 (2011) 840-845
Space group: P 21 21 21
Cell volume: 1539.2
Cell parameters: 7.8612; 11.9639; 16.3656; 90; 90; 90;  

COD ID: 4026012
CIF file Formula: - C17 H18 N2 O8 -
Comments: Xuesen Fan; Yangyang Wang; Yingying Qu; Haiyun Xu; Yan He; Xinying Zhang; Jianji Wang Tandem Reactions Leading to Bicyclic Pyrimidine Nucleosides and Benzopyran-4-ones Journal of Organic Chemistry 76 (2011) 982-985
Space group: P 1 21 1
Cell volume: 874.53
Cell parameters: 9.4955; 6.7112; 13.9717; 90; 100.821; 90;  

COD ID: 4026013
CIF file Formula: - C14 H9 F5 O2 -
Comments: Huaiqing Zhao; Ye Wei; Jing Xu; Jian Kan; Weiping Su; Maochun Hong Pd/PR3-Catalyzed Cross-Coupling of Aromatic Carboxylic Acids with Electron-Deficient Polyfluoroarenes via Combination of Decarboxylation with sp2 C-H Cleavage Journal of Organic Chemistry 76 (2011) 882-893
Space group: P 1 21/c 1
Cell volume: 1290.7
Cell parameters: 8.205; 7.938; 19.842; 90; 92.846; 90;  

COD ID: 4026014
CIF file Formula: - C23 H25 N O3 S -
Comments: Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto Intramolecular Charge-Transfer-Induced Decomposition Promoted by an Aprotic Polar Solvent for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety Journal of Organic Chemistry 76 (2011) 902-908
Space group: C 1 2/c 1
Cell volume: 3964
Cell parameters: 45.766; 6.164; 14.24; 90; 99.34; 90;  

COD ID: 4026015
CIF file Formula: - C20 H26 O5 -
Comments: Joseph J. Topczewski; John G. Kodet; David F. Wiemer Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A Journal of Organic Chemistry 76 (2011) 909-919
Space group: P n a 21
Cell volume: 1854.9
Cell parameters: 20.663; 14.7908; 6.0694; 90; 90; 90;  

COD ID: 4026016
CIF file Formula: - C16 H23 O7 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 1889.2
Cell parameters: 15.4896; 6.3827; 22.4035; 90; 121.467; 90;  

COD ID: 4026017
CIF file Formula: - C17 H25 Cl2 O7 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2161.7
Cell parameters: 13.9539; 9.861; 16.9007; 90; 111.638; 90;  

COD ID: 4026018
CIF file Formula: - C21 H25 O7 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 2/c 1
Cell volume: 2131.6
Cell parameters: 16.4839; 6.674; 22.516; 90; 120.625; 90;  

COD ID: 4026019
CIF file Formula: - C109 H125 Cl3 O48 P4 -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: C 1 2/c 1
Cell volume: 6443.4
Cell parameters: 17.863; 24.4265; 16.784; 90; 118.377; 90;  

COD ID: 4026020
CIF file Formula: - C23 H27 O7 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2348.3
Cell parameters: 9.7156; 12.7031; 20.613; 90; 112.62; 90;  

COD ID: 4026021
CIF file Formula: - C29 H35 O12 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 3074.7
Cell parameters: 14.9743; 10.9942; 18.6852; 90; 91.759; 90;  

COD ID: 4026022
CIF file Formula: - C34 H31 O4 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2769.3
Cell parameters: 11.7888; 14.997; 16.96; 90; 112.545; 90;  

COD ID: 4026023
CIF file Formula: - C36 H35 Cl2 O5 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 3106.47
Cell parameters: 9.9415; 27.0182; 14.0924; 90; 124.847; 90;  

COD ID: 4026024
CIF file Formula: - C26 H22 O3 -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P -1
Cell volume: 1012.5
Cell parameters: 9.315; 10.467; 11.211; 76.848; 76.187; 75.85;  

COD ID: 4026025
CIF file Formula: - C40 H35 O2 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P -1
Cell volume: 1531.73
Cell parameters: 9.8726; 11.7485; 14.2263; 94.02; 91.421; 111.263;  

COD ID: 4026026
CIF file Formula: - C34 H35 O4 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2820.6
Cell parameters: 13.2152; 14.2689; 17.5; 90; 121.267; 90;  

COD ID: 4026027
CIF file Formula: - C40 H39 O4 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 4026.9
Cell parameters: 15.8406; 14.0154; 19.0996; 90; 108.257; 90;  

COD ID: 4026028
CIF file Formula: - C28 H27 O3 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2325
Cell parameters: 9.9536; 16.2868; 15.5212; 90; 112.478; 90;  

COD ID: 4026029
CIF file Formula: - C22 H23 O3 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P n m a
Cell volume: 1934
Cell parameters: 23.597; 13.366; 6.132; 90; 90; 90;  

COD ID: 4026030
CIF file Formula: - C29 H23 O P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: C 1 c 1
Cell volume: 2284
Cell parameters: 15.88; 9.9538; 15.133; 90; 107.287; 90;  

COD ID: 4026031
CIF file Formula: - C18 H30 O6 P2 -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P b c n
Cell volume: 2074.2
Cell parameters: 16.291; 12.324; 10.331; 90; 90; 90;  

COD ID: 4026032
CIF file Formula: - C35 H33 O5 P -
Comments: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry 76 (2011) 920-938
Space group: P 1 21/c 1
Cell volume: 2890.6
Cell parameters: 10.3316; 16.5344; 17.8866; 90; 108.912; 90;  

COD ID: 4026033
CIF file Formula: - C14 H16 N2 -
Comments: Heinz Langhals; Alexander Hofer; Stefan Bernhard; Jay S. Siegel; Peter Mayer Axially Chiral Bichromophoric Fluorescent Dyes Journal of Organic Chemistry 76 (2011) 990-992
Space group: P 21 21 21
Cell volume: 1185.43
Cell parameters: 7.4997; 7.9251; 19.9447; 90; 90; 90;  

COD ID: 4026034
CIF file Formula: - C10 H11 N O2 -
Comments: Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams Journal of Organic Chemistry 76 (2011) 948-962
Space group: P 21 21 21
Cell volume: 1856.2
Cell parameters: 9.306; 13.832; 14.42; 90; 90; 90;  

COD ID: 4026035
CIF file Formula: - C10 H11 N O2 -
Comments: Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams Journal of Organic Chemistry 76 (2011) 948-962
Space group: P -1
Cell volume: 905.7
Cell parameters: 8.553; 8.7103; 12.809; 80.9; 89.75; 74.15;  

COD ID: 4026036
CIF file Formula: - C6 H11 N O2 -
Comments: Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams Journal of Organic Chemistry 76 (2011) 948-962
Space group: P 1 21/n 1
Cell volume: 668.08
Cell parameters: 4.5881; 14.0647; 10.4202; 90; 96.511; 90;  

COD ID: 4026037
CIF file Formula: - C6 H11 N O2 -
Comments: Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams Journal of Organic Chemistry 76 (2011) 948-962
Space group: P 1 21/c 1
Cell volume: 660.41
Cell parameters: 4.5474; 14.3702; 10.3498; 90; 102.456; 90;  

COD ID: 4026038
CIF file Formula: - C28 H23 N O3 S -
Comments: Ren-Jie Song; Yu Liu; Yan-Yun Liu; Jin-Heng Li Palladium-Catalyzed Conjugate Addition to Electron-Deficient Alkynes with Benzenesulfinic Acid Derived from 1,2-Bis(phenylsulfonyl)ethane: Selective Synthesis of (E)-Vinyl Sulfones Journal of Organic Chemistry 76 (2011) 1001-1004
Space group: P 1 21/n 1
Cell volume: 2410.1
Cell parameters: 10.574; 17.64; 12.926; 90; 91.566; 90;  

COD ID: 4026039
CIF file Formula: - C76.5 H101 Cl N12 O12 S4 -
Comments: Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies Journal of Organic Chemistry 76 (2011) 1005-1012
Space group: P -1
Cell volume: 1987.52
Cell parameters: 11.4296; 12.6286; 15.0391; 105.039; 90.962; 107.601;  

COD ID: 4026040
CIF file Formula: - C80 H108 Cl N9 O8 S4 -
Comments: Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies Journal of Organic Chemistry 76 (2011) 1005-1012
Space group: I 41 m d
Cell volume: 8095.5
Cell parameters: 23.5509; 23.5509; 14.5959; 90; 90; 90;  

COD ID: 4026041
CIF file Formula: - C33 H40 N4 O5 S2 -
Comments: Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies Journal of Organic Chemistry 76 (2011) 1005-1012
Space group: P 1 21/n 1
Cell volume: 3144.4
Cell parameters: 12.817; 17.885; 13.861; 90; 98.261; 90;  

COD ID: 4026042
CIF file Formula: - C20 H18 N2 O4 -
Comments: Shin Ando; Amy L. Grote; Kazunori Koide Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides Journal of Organic Chemistry 76 (2011) 1155-1158
Space group: P 21 21 21
Cell volume: 1680
Cell parameters: 8.491; 9.669; 20.46; 90; 90; 90;  

COD ID: 4026043
CIF file Formula: - C20 H18 N2 O4 -
Comments: Shin Ando; Amy L. Grote; Kazunori Koide Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides Journal of Organic Chemistry 76 (2011) 1155-1158
Space group: C 1 2/c 1
Cell volume: 5256
Cell parameters: 14.326; 15.14; 24.246; 90; 91.927; 90;  

COD ID: 4026044
CIF file Formula: - C16 H18 N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P 1
Cell volume: 738.64
Cell parameters: 5.958; 9.2476; 14.1993; 91.391; 97.183; 107.512;  

COD ID: 4026045
CIF file Formula: - C32 H36 N4 O6 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P -1
Cell volume: 1478
Cell parameters: 9.684; 12.086; 13.299; 81.86; 82.501; 74.533;  

COD ID: 4026046
CIF file Formula: - C17 H20 N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P 1
Cell volume: 800.9
Cell parameters: 7.1279; 8.8202; 13.1405; 102.542; 92.659; 95.43;  

COD ID: 4026047
CIF file Formula: - C17 H20 N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P -1
Cell volume: 1580
Cell parameters: 9.6495; 12.915; 13.39; 102.007; 103.616; 92.047;  

COD ID: 4026048
CIF file Formula: - C17 H20 N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P 1
Cell volume: 784.95
Cell parameters: 6.036; 9.4615; 14.6013; 83.438; 84.291; 71.75;  

COD ID: 4026049
CIF file Formula: - C17 H20 N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P -1
Cell volume: 773.7
Cell parameters: 5.5847; 7.8959; 17.784; 84.99; 85.314; 83.194;  

COD ID: 4026050
CIF file Formula: - C16 H17 F N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P 1
Cell volume: 1500.05
Cell parameters: 8.8898; 12.061; 15.2167; 72.416; 81.661; 75.268;  

COD ID: 4026051
CIF file Formula: - C16 H17 F N2 O3 -
Comments: Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation Journal of Organic Chemistry 76 (2011) 1159-1162
Space group: P 1 21/c 1
Cell volume: 1530.2
Cell parameters: 13.397; 9.956; 12.273; 90; 110.812; 90;  

COD ID: 4026052
CIF file Formula: - C15 H9 I2 N -
Comments: Takenori Mitamura; Akiya Ogawa Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine Journal of Organic Chemistry 76 (2011) 1163-1166
Space group: P -1
Cell volume: 678.47
Cell parameters: 8.0176; 9.6736; 10.1393; 106.763; 96.6662; 111.509;  

COD ID: 4026053
CIF file Formula: - C16 H11 I2 N O -
Comments: Takenori Mitamura; Akiya Ogawa Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine Journal of Organic Chemistry 76 (2011) 1163-1166
Space group: C 1 2/c 1
Cell volume: 5999.4
Cell parameters: 36.7158; 8.06317; 20.2857; 90; 92.587; 90;  

COD ID: 4026054
CIF file Formula: - C59 H58 B F2 I N2 O8 -
Comments: Thomas Bura; Pascal Retailleau; Gilles Ulrich; Raymond Ziessel Highly Substituted Bodipy Dyes with Spectroscopic Features Sensitive to the Environment Journal of Organic Chemistry 76 (2011) 1109-1117
Space group: P -1
Cell volume: 2670.5
Cell parameters: 10.672; 15.083; 17.585; 86.626; 72.898; 80.806;  

COD ID: 4026055
CIF file Formula: - C26 H34 N2 O4 -
Comments: David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family Journal of Organic Chemistry 76 (2011) 1013-1030
Space group: P 1 21 1
Cell volume: 2389.8
Cell parameters: 13.7524; 6.0384; 28.938; 90; 96.02; 90;  

COD ID: 4026056
CIF file Formula: - C26 H34 N2 O4 -
Comments: David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family Journal of Organic Chemistry 76 (2011) 1013-1030
Space group: P 1
Cell volume: 592.92
Cell parameters: 6.2724; 8.1395; 11.915; 99.035; 95.226; 96.713;  

COD ID: 4026057
CIF file Formula: - C24 H26 N O7 -
Comments: David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family Journal of Organic Chemistry 76 (2011) 1013-1030
Space group: P 21 21 21
Cell volume: 2176.9
Cell parameters: 9.983; 10.796; 20.198; 90; 90; 90;  

COD ID: 4026058
CIF file Formula: - C10 H14 F12 N2 O2 -
Comments: Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect Journal of Organic Chemistry 76 (2011) 1126-1133
Space group: P -1
Cell volume: 761.8
Cell parameters: 5.121; 12.152; 12.407; 93.69; 94.64; 96.93;  

COD ID: 4026059
CIF file Formula: - C16 H22 F12 N2 O2 -
Comments: Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect Journal of Organic Chemistry 76 (2011) 1126-1133
Space group: P 1 21/n 1
Cell volume: 1032.7
Cell parameters: 6.9943; 16.75; 9.4455; 90; 111.055; 90;  

COD ID: 4026060
CIF file Formula: - C22 H22 F12 N2 O2 -
Comments: Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect Journal of Organic Chemistry 76 (2011) 1126-1133
Space group: P -1
Cell volume: 2334.3
Cell parameters: 13.483; 13.951; 14.8923; 62.113; 73.42; 73.39;  

COD ID: 4026061
CIF file Formula: - C18 H28 F12 N2 O2 -
Comments: Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect Journal of Organic Chemistry 76 (2011) 1126-1133
Space group: P 1 21/n 1
Cell volume: 2268.1
Cell parameters: 8.7334; 18.096; 14.6555; 90; 101.692; 90;  

COD ID: 4026062
CIF file Formula: - C44.17 H76.45 N11 O14.15 -
Comments: Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness Stapling of a 310-Helix with Click Chemistry Journal of Organic Chemistry 76 (2011) 1228-1238
Space group: P 21 21 21
Cell volume: 5524
Cell parameters: 16.239; 18.236; 18.655; 90; 90; 90;  

COD ID: 4026063
CIF file Formula: - C45.28 H80.47 N11 O13.5 -
Comments: Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness Stapling of a 310-Helix with Click Chemistry Journal of Organic Chemistry 76 (2011) 1228-1238
Space group: C 1 2 1
Cell volume: 5652
Cell parameters: 36.417; 13.382; 11.873; 90; 102.36; 90;  

COD ID: 4026064
CIF file Formula: - C20 H16 N2 O2 -
Comments: Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones Journal of Organic Chemistry 76 (2011) 1239-1249
Space group: P n a 21
Cell volume: 1532
Cell parameters: 17.9076; 7.1357; 11.9889; 90; 90; 90;  

COD ID: 4026065
CIF file Formula: - C17 H20 O5 -
Comments: Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan Total Synthesis of Lathyranoic Acid A Journal of Organic Chemistry 76 (2011) 1448-1451
Space group: P 1 21 1
Cell volume: 796.14
Cell parameters: 6.9155; 8.1679; 14.2734; 90; 99.078; 90;  

COD ID: 4026066
CIF file Formula: - C24 H23 Br O6 -
Comments: Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan Total Synthesis of Lathyranoic Acid A Journal of Organic Chemistry 76 (2011) 1448-1451
Space group: P 1 21 1
Cell volume: 1160.3
Cell parameters: 6.6814; 15.308; 11.355; 90; 92.456; 90;  

COD ID: 4026067
CIF file Formula: - C2 H4 O -
Comments: Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives Journal of Organic Chemistry 76 (2011) 1305-1318
Space group: P 1 21/n 1
Cell volume: 251.8
Cell parameters: 4.633; 8.4; 6.577; 90; 100.37; 90;  

COD ID: 4026068
CIF file Formula: - C6 H8 O5 -
Comments: Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives Journal of Organic Chemistry 76 (2011) 1305-1318
Space group: C 1 2 1
Cell volume: 1457.4
Cell parameters: 21.304; 4.046; 17.685; 90; 107.05; 90;  

COD ID: 4026069
CIF file Formula: - C12 H11 N O7 -
Comments: Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives Journal of Organic Chemistry 76 (2011) 1305-1318
Space group: P -1
Cell volume: 619.07
Cell parameters: 7.746; 8.08; 11.835; 86.198; 74.105; 60.673;  

COD ID: 4026070
CIF file Formula: - C6 N4 O -
Comments: Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives Journal of Organic Chemistry 76 (2011) 1305-1318
Space group: P 1 21/c 1
Cell volume: 653.7
Cell parameters: 9.586; 6.082; 11.994; 90; 110.79; 90;  

COD ID: 4026071
CIF file Formula: - C16 H13 N O2 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P -1
Cell volume: 586.08
Cell parameters: 6.6696; 7.6973; 12.7164; 88.744; 81.722; 65.235;  

COD ID: 4026072
CIF file Formula: - C16 H13 N O2 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P -1
Cell volume: 606.881
Cell parameters: 6.708; 7.8652; 12.7175; 89.491; 81.199; 66.46;  

COD ID: 4026073
CIF file Formula: - C16 H14 O2 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/n 1
Cell volume: 1160.11
Cell parameters: 7.0862; 21.9228; 8.0627; 90; 112.148; 90;  

COD ID: 4026074
CIF file Formula: - C16 H13 N O2 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/n 1
Cell volume: 1171.65
Cell parameters: 8.0937; 7.2758; 19.9413; 90; 93.851; 90;  

COD ID: 4026075
CIF file Formula: - C25 H21 N O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/n 1
Cell volume: 3633.5
Cell parameters: 14.9807; 16.1595; 15.3173; 90; 101.509; 90;  

COD ID: 4026076
CIF file Formula: - C24 H22 O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P b c a
Cell volume: 3414.34
Cell parameters: 9.6025; 17.6676; 20.1254; 90; 90; 90;  

COD ID: 4026077
CIF file Formula: - C25 H21 N O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 21 21 21
Cell volume: 1830.42
Cell parameters: 8.9161; 10.5248; 19.5057; 90; 90; 90;  

COD ID: 4026078
CIF file Formula: - C24 H22 O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 n 1
Cell volume: 878.05
Cell parameters: 6.4585; 9.7432; 14.0722; 90; 97.442; 90;  

COD ID: 4026079
CIF file Formula: - C23 H20 O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P n a 21
Cell volume: 1668.6
Cell parameters: 22.99; 11.5589; 6.2791; 90; 90; 90;  

COD ID: 4026080
CIF file Formula: - C25 H21 N O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/c 1
Cell volume: 1847.37
Cell parameters: 9.8089; 13.5467; 14.3443; 90; 104.253; 90;  

COD ID: 4026081
CIF file Formula: - C24 H22 O3 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: C 1 2/c 1
Cell volume: 3484.27
Cell parameters: 25.0613; 9.961; 14.47; 90; 105.296; 90;  

COD ID: 4026082
CIF file Formula: - C27 H27 N O4 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/c 1
Cell volume: 2152.2
Cell parameters: 8.8327; 36.546; 6.7047; 90; 96.053; 90;  

COD ID: 4026083
CIF file Formula: - C27 H25 N O4 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/n 1
Cell volume: 2106.58
Cell parameters: 9.8224; 14.3488; 15.5494; 90; 106.005; 90;  

COD ID: 4026084
CIF file Formula: - C26 H26 O4 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P -1
Cell volume: 1979.42
Cell parameters: 10.1847; 14.1437; 14.6416; 90.026; 110.101; 91.882;  

COD ID: 4026085
CIF file Formula: - C28 H28 O5 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P -1
Cell volume: 1071.43
Cell parameters: 9.6937; 10.0059; 11.7038; 107.168; 94.725; 95.837;  

COD ID: 4026086
CIF file Formula: - C27 H27 N O5 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/c 1
Cell volume: 2160.45
Cell parameters: 18.8598; 8.965; 13.2521; 90; 105.375; 90;  

COD ID: 4026087
CIF file Formula: - C28 H28 O6 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P -1
Cell volume: 1103.85
Cell parameters: 9.8233; 9.8589; 12.1276; 85.89; 86.645; 70.544;  

COD ID: 4026088
CIF file Formula: - C32 H26 N2 O4 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/c 1
Cell volume: 2638
Cell parameters: 11.275; 8.505; 27.54; 90; 92.525; 90;  

COD ID: 4026089
CIF file Formula: - C28 H24 O4 -
Comments: Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry 76 (2011) 1319-1332
Space group: P 1 21/c 1
Cell volume: 2003.37
Cell parameters: 11.7534; 13.2715; 13.3406; 90; 105.693; 90;  

COD ID: 4026090
CIF file Formula: - C20 H21 N O4 S2 -
Comments: Yong Zhang; Yong-Liang Shao; Hai-Sen Xu; Wei Wang Organocatalytic Direct Asymmetric Vinylogous Michael Reaction of an α,β-Unsaturated γ-Butyrolactam with Enones Journal of Organic Chemistry 76 (2011) 1472-1474
Space group: P 1 21 1
Cell volume: 1028.7
Cell parameters: 8.838; 10.681; 10.897; 90; 90.135; 90;  

COD ID: 4026091
CIF file Formula: - C9 H14 Br2 O2 -
Comments: Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey (±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans Journal of Organic Chemistry 76 (2011) 1483-1486
Space group: P -1
Cell volume: 556.12
Cell parameters: 7.0842; 9.0032; 9.5389; 95.64; 97.798; 110.869;  

COD ID: 4026092
CIF file Formula: - C18 H24 O8 -
Comments: Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey (±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans Journal of Organic Chemistry 76 (2011) 1483-1486
Space group: P c a 21
Cell volume: 3553.8
Cell parameters: 13.3473; 14.7931; 17.9988; 90; 90; 90;  

COD ID: 4026093
CIF file Formula: - C25 H24 O -
Comments: Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti Structure, Conformation, Stereodynamics, and Absolute Configuration of the Atropisomers of Fluorenylidene Derivatives Journal of Organic Chemistry 76 (2011) 1487-1490
Space group: P 21 21 21
Cell volume: 3922.6
Cell parameters: 8.6361; 9.5345; 47.638; 90; 90; 90;  

COD ID: 4026094
CIF file Formula: - C22 H26 O6 -
Comments: Kai Ding; Yun-shan Sun; Wei-Sheng Tian Total Synthesis of (±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction Journal of Organic Chemistry 76 (2011) 1495-1498
Space group: P 1 n 1
Cell volume: 991.26
Cell parameters: 10.5615; 8.3727; 11.8537; 90; 108.972; 90;  

COD ID: 4026095
CIF file Formula: - C48 H45 N O6 -
Comments: Najat S. Khan; Jose Manuel Perez-Aguilar; Tara Kaufmann; P. Aru Hill; Olena Taratula; One-Sun Lee; Patrick J. Carroll; Jeffery G. Saven; Ivan J. Dmochowski Multiple Hindered Rotators in a Gyroscope-Inspired Tribenzylamine Hemicryptophane Journal of Organic Chemistry 76 (2011) 1418-1424
Space group: P 1 21/c 1
Cell volume: 3789.3
Cell parameters: 17.0976; 11.4592; 21.096; 90; 113.539; 90;  

COD ID: 4026096
CIF file Formula: - C10 H10 N2 P2 S5 -
Comments: Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone Journal of Organic Chemistry 76 (2011) 1546-1553
Space group: P -1
Cell volume: 1605.5
Cell parameters: 9.382; 12.916; 13.29; 89.09; 88.04; 86.02;  

COD ID: 4026097
CIF file Formula: - C5 H8 N O3 P S -
Comments: Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone Journal of Organic Chemistry 76 (2011) 1546-1553
Space group: P 1 21/c 1
Cell volume: 790.49
Cell parameters: 7.9234; 11.0214; 9.0941; 90; 95.514; 90;  

COD ID: 4026098
CIF file Formula: - C28 H27 N3 Ni O3 S -
Comments: Daniel J. Smith; Glenn P. A. Yap; James A. Kelley; Joel P. Schneider Enhanced Stereoselectivity of a Cu(II) Complex Chiral Auxiliary in the Synthesis of Fmoc-l-γ-carboxyglutamic Acid Journal of Organic Chemistry 76 (2011) 1513-1520
Space group: P 1 21 1
Cell volume: 2472.8
Cell parameters: 10.428; 8.062; 29.581; 90; 96.108; 90;  

COD ID: 4026099
CIF file Formula: - C75 H13 N O -
Comments: Shih-Ching Chuang; Venkatachalam Rajeshkumar; Chun-An Cheng; Jie-Cheng Deng; Guan-Wu Wang Annulation of Benzamides with [60]Fullerene through Palladium(II)-Catalyzed C-H Bond Activation Journal of Organic Chemistry 76 (2011) 1599-1604
Space group: P 1 21/c 1
Cell volume: 3792.7
Cell parameters: 18.8594; 10.0842; 19.9788; 90; 93.459; 90;  

COD ID: 4026100
CIF file Formula: - C18 H19 N O3 -
Comments: Sandra Jiménez-Alonso; Judith Guasch; Ana Estévez-Braun; Imma Ratera; Jaume Veciana; Angel G. Ravelo Electronic and Cytotoxic Properties of 2-Amino-naphtho[2,3-b]furan-4,9-diones Journal of Organic Chemistry 76 (2011) 1634-1643
Space group: P 1 21/n 1
Cell volume: 1702
Cell parameters: 13.21; 9.45; 14.77; 90; 112.64; 90;  

COD ID: 4026101
CIF file Formula: - C20 H25 N O2 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 21 21 21
Cell volume: 1769.8
Cell parameters: 9.7844; 10.1122; 17.8873; 90; 90; 90;  

COD ID: 4026102
CIF file Formula: - C24 H27 N O2 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 21 21 21
Cell volume: 2043.86
Cell parameters: 6.8347; 17.1728; 17.4137; 90; 90; 90;  

COD ID: 4026103
CIF file Formula: - C27 H34 N2 O4 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 1 21 1
Cell volume: 2559.07
Cell parameters: 12.8706; 10.3285; 19.3024; 90; 94.196; 90;  

COD ID: 4026104
CIF file Formula: - C17 H25 N O2 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 21 21 21
Cell volume: 1676.79
Cell parameters: 8.0663; 10.2743; 20.2326; 90; 90; 90;  

COD ID: 4026105
CIF file Formula: - C16 H23 N O4 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 21 21 21
Cell volume: 1641.27
Cell parameters: 10.0543; 11.701; 13.951; 90; 90; 90;  

COD ID: 4026106
CIF file Formula: - C16 H25 N O2 -
Comments: Ta-Jung Lu; Cheng-Kun Lin Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Journal of Organic Chemistry 76 (2011) 1621-1633
Space group: P 21 21 21
Cell volume: 1542.36
Cell parameters: 7.6999; 9.8411; 20.3544; 90; 90; 90;  

COD ID: 4026107
CIF file Formula: - C15 H20 O2 -
Comments: Jeannette M. O'Brien; Jason S. Kingsbury A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes Journal of Organic Chemistry 76 (2011) 1662-1672
Space group: P 21 21 21
Cell volume: 1240.9
Cell parameters: 6.2191; 11.1721; 17.86; 90; 90; 90;  

COD ID: 4026108
CIF file Formula: - C7 H10 O3 -
Comments: Jeannette M. O'Brien; Jason S. Kingsbury A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes Journal of Organic Chemistry 76 (2011) 1662-1672
Space group: C 1 2/c 1
Cell volume: 1481.3
Cell parameters: 22.917; 5.6502; 11.64; 90; 100.65; 90;  

COD ID: 4026109
CIF file Formula: - C152 H156 F48 N10 O22 P8 -
Comments: Jing Cao; Jia-Bin Guo; Peng-Fei Li; Chuan-Feng Chen Complexation between Pentiptycene Derived Bis(crown ether)s and CBPQT4+ Salt: Ion-Controlled Switchable Processes and Changeable Role of the CBPQT4+ in Host-Guest Systems Journal of Organic Chemistry 76 (2011) 1644-1652
Space group: P 1 21/n 1
Cell volume: 7928
Cell parameters: 17.122; 23.551; 19.674; 90; 92.05; 90;  

COD ID: 4026110
CIF file Formula: - C39 H41 N O6 Si -
Comments: Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold Journal of Organic Chemistry 76 (2011) 1898-1901
Space group: C 1 2 1
Cell volume: 3496.62
Cell parameters: 17.42; 11.1931; 19.4979; 90; 113.113; 90;  

COD ID: 4026111
CIF file Formula: - C33 H35 N O6 Si -
Comments: Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold Journal of Organic Chemistry 76 (2011) 1898-1901
Space group: C 1 2 1
Cell volume: 3040.82
Cell parameters: 18.2912; 10.635; 15.6481; 90; 92.608; 90;  

COD ID: 4026112
CIF file Formula: - C15 H16 F3 N O3 S Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 21/c 1
Cell volume: 1705.84
Cell parameters: 14.803; 8.9842; 13.004; 90; 99.476; 90;  

COD ID: 4026113
CIF file Formula: - C18 H25 N O3 S Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 21/n 1
Cell volume: 1905
Cell parameters: 6.5091; 33.521; 8.747; 90; 93.464; 90;  

COD ID: 4026114
CIF file Formula: - C14 H14 F3 N O3 S Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 21/c 1
Cell volume: 1589.2
Cell parameters: 10.369; 11.734; 13.532; 90; 105.156; 90;  

COD ID: 4026115
CIF file Formula: - C18 H25 N O3 S Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 21/c 1
Cell volume: 1893.44
Cell parameters: 17.416; 9.5355; 11.4018; 90; 90.467; 90;  

COD ID: 4026116
CIF file Formula: - C18 H14 N4 O7 Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 21/n 1
Cell volume: 1911.4
Cell parameters: 7.449; 13.527; 19.221; 90; 99.285; 90;  

COD ID: 4026117
CIF file Formula: - C18 H14 N4 O7 Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P -1
Cell volume: 930.88
Cell parameters: 8.2176; 9.735; 12.3328; 82.277; 83.488; 72.756;  

COD ID: 4026118
CIF file Formula: - C19 H16 N4 O7 Se -
Comments: S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand Journal of Organic Chemistry 76 (2011) 1673-1682
Space group: P 1 2/n 1
Cell volume: 1961.93
Cell parameters: 11.6919; 8.2865; 20.4393; 90; 97.802; 90;  

COD ID: 4026119
CIF file Formula: - C29 H34 Cl4 O9 S3 -
Comments: Julien Sanseverino; Jean-Claude Chambron; Emmanuel Aubert; Enrique Espinosa Sulfur-Incorporating Cyclotriveratrylene Analogues: The Synthesis of Cyclotrithioguaiacylene Journal of Organic Chemistry 76 (2011) 1914-1917
Space group: P 1 21/c 1
Cell volume: 3467.41
Cell parameters: 16.8059; 12.0718; 21.4038; 90; 127.012; 90;  

COD ID: 4026120
CIF file Formula: - C36.5 H37 Cl1.5 N O4 -
Comments: Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies Journal of Organic Chemistry 76 (2011) 1742-1750
Space group: P 1 21/n 1
Cell volume: 6872
Cell parameters: 16.081; 25.463; 17.392; 90; 105.22; 90;  

COD ID: 4026121
CIF file Formula: - C177 H172 N4 O19 -
Comments: Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies Journal of Organic Chemistry 76 (2011) 1742-1750
Space group: P -1
Cell volume: 7424.3
Cell parameters: 15.5468; 20.2073; 24.3136; 102.014; 90.127; 96.242;  

COD ID: 4026122
CIF file Formula: - C70 H24 Br2 O6 -
Comments: Jianxin Zhang; Nana Xin; Liangbing Gan Bromination-Mediated Regioselective Preparation of Cyclopentadienyl-Type [60]Fullerene Derivatives with Alkoxy, Peroxy, and Bromo or Hydro Addends Journal of Organic Chemistry 76 (2011) 1735-1741
Space group: P 21 21 21
Cell volume: 4266.7
Cell parameters: 12.0065; 17.58; 20.214; 90; 90; 90;  

COD ID: 4026123
CIF file Formula: - C26 H40 F12 N2 O2 P2 -
Comments: Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes Journal of Organic Chemistry 76 (2011) 1930-1933
Space group: P 1 21/c 1
Cell volume: 3160.02
Cell parameters: 10.272; 34.671; 8.925; 90; 96.19; 90;  

COD ID: 4026124
CIF file Formula: - C27 H42 Cl3 N2 O10 P2 S -
Comments: Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes Journal of Organic Chemistry 76 (2011) 1930-1933
Space group: C 1 2/c 1
Cell volume: 6970.7
Cell parameters: 30.78; 12.9394; 23.09; 90; 130.712; 90;  

COD ID: 4026125
CIF file Formula: - C25 H24 N2 O2 -
Comments: Lehao Huang; Tianmin Niu; Jun Wu; Yuhong Zhang Copper-Catalyzed Oxidative Cross-Coupling of N,N-Dimethylanilines with Heteroarenes under Molecular Oxygen Journal of Organic Chemistry 76 (2011) 1759-1766
Space group: P 1 21/c 1
Cell volume: 2039.1
Cell parameters: 7.0755; 27.67; 10.6387; 90; 101.765; 90;  

COD ID: 4026126
CIF file Formula: - C32 H33 N O5 S -
Comments: Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition Journal of Organic Chemistry 76 (2011) 1926-1929
Space group: C 1 2 1
Cell volume: 2848.18
Cell parameters: 14.6662; 10.1239; 19.1996; 90; 92.428; 90;  

COD ID: 4026127
CIF file Formula: - C43 H40 Cl3 N O6 S -
Comments: Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition Journal of Organic Chemistry 76 (2011) 1926-1929
Space group: P 1 21 1
Cell volume: 1986.99
Cell parameters: 13.2578; 11.0728; 14.014; 90; 105.019; 90;  

COD ID: 4026128
CIF file Formula: - C20 H17 N O -
Comments: Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines Journal of Organic Chemistry 76 (2011) 1941-1944
Space group: P b c a
Cell volume: 3080.15
Cell parameters: 12.513; 12.6052; 19.5281; 90; 90; 90;  

COD ID: 4026129
CIF file Formula: - C22 H36 B2 O3 P2 -
Comments: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes Journal of Organic Chemistry 76 (2011) 1795-1803
Space group: P 21 21 21
Cell volume: 2466.4
Cell parameters: 7.0876; 16.0787; 21.6431; 90; 90; 90;  

COD ID: 4026130
CIF file Formula: - C24 H40 B2 O4 P2 -
Comments: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes Journal of Organic Chemistry 76 (2011) 1795-1803
Space group: P 1 21 1
Cell volume: 2632.7
Cell parameters: 10.0669; 25.664; 10.9208; 90; 111.079; 90;  

COD ID: 4026131
CIF file Formula: - C24 H34 Cl2 O4 P2 Pd -
Comments: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes Journal of Organic Chemistry 76 (2011) 1795-1803
Space group: P 21 21 21
Cell volume: 2602.6
Cell parameters: 9.2921; 14.879; 18.8246; 90; 90; 90;  

COD ID: 4026132
CIF file Formula: - C27 H39 Cl5 O5 P2 Pd -
Comments: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes Journal of Organic Chemistry 76 (2011) 1795-1803
Space group: P 21 21 21
Cell volume: 3390.5
Cell parameters: 10.9964; 13.7798; 22.3755; 90; 90; 90;  

COD ID: 4026133
CIF file Formula: - C10 H15 N O2 S -
Comments: Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives Journal of Organic Chemistry 76 (2011) 1937-1940
Space group: P 21 21 2
Cell volume: 1071.37
Cell parameters: 6.9899; 22.4792; 6.8185; 90; 90; 90;  

COD ID: 4026134
CIF file Formula: - C61 H38 Cl3 N9 O7 -
Comments: Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors Journal of Organic Chemistry 76 (2011) 1804-1813
Space group: P 1 21/c 1
Cell volume: 5175.1
Cell parameters: 12.2358; 22.538; 18.847; 90; 95.309; 90;  

COD ID: 4026135
CIF file Formula: - C69 H60 N12 O6 -
Comments: Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors Journal of Organic Chemistry 76 (2011) 1804-1813
Space group: P 1 21/m 1
Cell volume: 4277.4
Cell parameters: 18.845; 13.192; 19.392; 90; 117.468; 90;  

COD ID: 4026136
CIF file Formula: - C72 H63 N9 O10 -
Comments: Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors Journal of Organic Chemistry 76 (2011) 1804-1813
Space group: P 1 21/n 1
Cell volume: 6246
Cell parameters: 17.586; 18.328; 19.381; 90; 91.08; 90;  

COD ID: 4026137
CIF file Formula: - C75 H69 N15 O6 -
Comments: Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors Journal of Organic Chemistry 76 (2011) 1804-1813
Space group: R -3 :H
Cell volume: 10694
Cell parameters: 23.832; 23.832; 21.741; 90; 90; 120;  

COD ID: 4026138
CIF file

HKL data

 Formula: - C24 H24 B N3 O4 -
Comments: Ana López-Pérez; Marwin Segler; Javier Adrio; Juan C. Carretero Silver-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Boryl Acrylates Journal of Organic Chemistry 76 (2011) 1945-1948
Space group: P -1
Cell volume: 1037.55
Cell parameters: 5.4777; 12.6442; 15.1084; 83.967; 86.968; 86.5;  

COD ID: 4026139
CIF file Formula: - C21 H17.5 N0 O3.5 S1.75 -
Comments: Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group Journal of Organic Chemistry 76 (2011) 1814-1820
Space group: P 21 21 21
Cell volume: 1831.9
Cell parameters: 6.028; 16.365; 18.57; 90; 90; 90;  

COD ID: 4026140
CIF file Formula: - C21 H17.5 N0 O3.5 S1.75 -
Comments: Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group Journal of Organic Chemistry 76 (2011) 1814-1820
Space group: P 21 21 21
Cell volume: 1837.6
Cell parameters: 6.037; 16.367; 18.598; 90; 90; 90;  

COD ID: 4026141
CIF file Formula: - C18 H24 N O2 S -
Comments: Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group Journal of Organic Chemistry 76 (2011) 1814-1820
Space group: P 21 21 21
Cell volume: 1886.7
Cell parameters: 8.0114; 12.5034; 18.835; 90; 90; 90;  

COD ID: 4026142
CIF file Formula: - C36 H32 N4 -
Comments: Xiao Liu; Yudao Ma; Wenzeng Duan; Fuyan He; Lei Zhao; Chun Song Synthesis of Cyclophanes with Planar and Helical Chirality Journal of Organic Chemistry 76 (2011) 1953-1956
Space group: P 1 21 1
Cell volume: 1330.6
Cell parameters: 7.186; 14.0335; 13.235; 90; 94.498; 90;  

COD ID: 4026143
CIF file Formula: - C16 H12 O4 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P 1 21/n 1
Cell volume: 5036.2
Cell parameters: 5.1389; 54.219; 18.2513; 90; 97.964; 90;  

COD ID: 4026144
CIF file Formula: - C21 H20 O5 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P -1
Cell volume: 882.19
Cell parameters: 9.43; 9.63; 11.129; 90.248; 106.933; 112.963;  

COD ID: 4026145
CIF file Formula: - C21 H20 O5 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P -1
Cell volume: 2410.7
Cell parameters: 12.4406; 12.7749; 15.6575; 94.061; 95.186; 102.32;  

COD ID: 4026146
CIF file Formula: - C16 H12 O4 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P 1 21/n 1
Cell volume: 1235.9
Cell parameters: 7.0764; 19.5907; 8.9411; 90; 94.353; 90;  

COD ID: 4026147
CIF file Formula: - C18 H16 O6 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: C 1 2/c 1
Cell volume: 3115
Cell parameters: 24.27; 7.822; 17.052; 90; 105.789; 90;  

COD ID: 4026148
CIF file Formula: - C21 H18 Br2 O5 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: C 1 2/c 1
Cell volume: 3975.7
Cell parameters: 21.998; 7.5957; 25.811; 90; 112.804; 90;  

COD ID: 4026149
CIF file Formula: - C21 H18 Br2 O5 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P -1
Cell volume: 1977.1
Cell parameters: 11.778; 13.054; 14.844; 97.661; 113.083; 103.412;  

COD ID: 4026150
CIF file Formula: - C21 H18 Br2 O5 -
Comments: Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts Journal of Organic Chemistry 76 (2011) 1844-1851
Space group: P 1 21/n 1
Cell volume: 2515
Cell parameters: 9.843; 23.98; 10.686; 90; 94.28; 90;  

COD ID: 4026151
CIF file Formula: - C6 H12 F N O6 -
Comments: Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates Journal of Organic Chemistry 76 (2011) 1992-2000
Space group: P 21 21 21
Cell volume: 890.24
Cell parameters: 7.0684; 8.4206; 14.9569; 90; 90; 90;  

COD ID: 4026152
CIF file Formula: - C28 H41 N Na2 O11 -
Comments: Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates Journal of Organic Chemistry 76 (2011) 1992-2000
Space group: P 21 21 21
Cell volume: 2986.92
Cell parameters: 7.8722; 9.2049; 41.2201; 90; 90; 90;  

COD ID: 4026153
CIF file Formula: - C23 H26 N2 O4 -
Comments: Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines Journal of Organic Chemistry 76 (2011) 2248-2252
Space group: P b c a
Cell volume: 4439.2
Cell parameters: 12.7109; 17.8216; 19.5965; 90; 90; 90;  

COD ID: 4026154
CIF file Formula: - C19 H23 N O5 -
Comments: Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase Synthesis of (-)-Homogalanthamine from Naltrexone Journal of Organic Chemistry 76 (2011) 2257-2260
Space group: P 1 21 1
Cell volume: 1659
Cell parameters: 7.74851; 26.2071; 8.18444; 90; 93.43; 90;  

COD ID: 4026155
CIF file Formula: - C17 H21 N O3 -
Comments: Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase Synthesis of (-)-Homogalanthamine from Naltrexone Journal of Organic Chemistry 76 (2011) 2257-2260
Space group: P 21 21 21
Cell volume: 1431.2
Cell parameters: 8.94134; 9.9466; 16.0925; 90; 90; 90;  

COD ID: 4026156
CIF file Formula: - C36 H48 O9 -
Comments: Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott Journal of Organic Chemistry 76 (2011) 2056-2061
Space group: P 1 21 1
Cell volume: 1707
Cell parameters: 10.969; 8.042; 19.434; 90; 95.39; 90;  

COD ID: 4026157
CIF file Formula: - C35 H46 O9 -
Comments: Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott Journal of Organic Chemistry 76 (2011) 2056-2061
Space group: P 1 21/n 1
Cell volume: 3279
Cell parameters: 8.792; 15.306; 24.545; 90; 96.91; 90;  

COD ID: 4026158
CIF file Formula: - C17 H18 F3 N O4 -
Comments: Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center Journal of Organic Chemistry 76 (2011) 2282-2285
Space group: P 21 21 21
Cell volume: 3510.1
Cell parameters: 9.991; 15.5697; 22.565; 90; 90; 90;  

COD ID: 4026159
CIF file Formula: - C25 H21 F3 N2 O2 S -
Comments: Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center Journal of Organic Chemistry 76 (2011) 2282-2285
Space group: P 1 21 1
Cell volume: 1145.7
Cell parameters: 10.7183; 8.8432; 12.4477; 90; 103.81; 90;  

COD ID: 4026160
CIF file Formula: - C22 H23 N O7 S2 -
Comments: Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems Journal of Organic Chemistry 76 (2011) 2094-2101
Space group: P 1 21/n 1
Cell volume: 2272.4
Cell parameters: 9.1596; 25.648; 10.427; 90; 111.923; 90;  

COD ID: 4026161
CIF file Formula: - C15 H19 Cl3 N2 O3 S -
Comments: Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems Journal of Organic Chemistry 76 (2011) 2094-2101
Space group: P 1 21/n 1
Cell volume: 1838.1
Cell parameters: 11.0349; 10.4165; 16.485; 90; 104.065; 90;  

COD ID: 4026162
CIF file Formula: - C23 H27 N O7 S2 -
Comments: Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems Journal of Organic Chemistry 76 (2011) 2094-2101
Space group: P 1 21/n 1
Cell volume: 2345.9
Cell parameters: 15.327; 7.905; 19.504; 90; 96.912; 90;  

COD ID: 4026163
CIF file Formula: - C6 H2 Br Cl I2 -
Comments: Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond Journal of Organic Chemistry 76 (2011) 2123-2131
Space group: P 1 21 1
Cell volume: 914.38
Cell parameters: 4.1459; 14.1723; 15.567; 90; 91.429; 90;  

COD ID: 4026164
CIF file Formula: - C20 H20 B Cl N4 O2 -
Comments: Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond Journal of Organic Chemistry 76 (2011) 2123-2131
Space group: C m c 21
Cell volume: 1812.62
Cell parameters: 16.1669; 9.9131; 11.3102; 90; 90; 90;  

COD ID: 4026165
CIF file Formula: - C77 H101 B2 Cl3 N2 O8 -
Comments: Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius Synthesis and Application of a Chiral Diborate Journal of Organic Chemistry 76 (2011) 2324-2327
Space group: P 1 21 1
Cell volume: 3575.4
Cell parameters: 11.4097; 13.4664; 23.539; 90; 98.669; 90;  

COD ID: 4026166
CIF file Formula: - C42.5 H48 F6 O8.5 S6 -
Comments: Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes Journal of Organic Chemistry 76 (2011) 2168-2179
Space group: P 1 21/c 1
Cell volume: 4935.7
Cell parameters: 20.749; 20.042; 11.915; 90; 95.042; 90;  

COD ID: 4026167
CIF file Formula: - C48 H54 F3 N O5 S5 -
Comments: Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes Journal of Organic Chemistry 76 (2011) 2168-2179
Space group: P -1
Cell volume: 2479
Cell parameters: 10.3827; 13.578; 18.34; 86.422; 87.024; 74.012;  

COD ID: 4026168
CIF file Formula: - C60 H76 N2 O6 S6 -
Comments: Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes Journal of Organic Chemistry 76 (2011) 2168-2179
Space group: C 1 2/c 1
Cell volume: 5962
Cell parameters: 14.71; 23.366; 18.063; 90; 106.207; 90;  

COD ID: 4026169
CIF file Formula: - C17 H14 N2 -
Comments: Subhendu Sekhar Bag; Rajen Kundu; Manas Das Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling Journal of Organic Chemistry 76 (2011) 2332-2337
Space group: P 1 21/c 1
Cell volume: 1410.87
Cell parameters: 8.9096; 7.9765; 20.3426; 90; 102.602; 90;  

COD ID: 4026170
CIF file Formula: - C26 H19 N -
Comments: Subhendu Sekhar Bag; Rajen Kundu; Manas Das Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling Journal of Organic Chemistry 76 (2011) 2332-2337
Space group: P 1 21/c 1
Cell volume: 1843.14
Cell parameters: 8.5572; 7.3756; 29.6144; 90; 99.56; 90;  

COD ID: 4026171
CIF file Formula: - C18 H25 N O S -
Comments: Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry Journal of Organic Chemistry 76 (2011) 2360-2366
Space group: I -4
Cell volume: 3251.9
Cell parameters: 17.3324; 17.3324; 10.8249; 90; 90; 90;  

COD ID: 4026172
CIF file Formula: - C19 H25 N O S -
Comments: Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry Journal of Organic Chemistry 76 (2011) 2360-2366
Space group: P 1 21 1
Cell volume: 1656.77
Cell parameters: 9.6969; 8.9917; 19.0384; 90; 93.568; 90;  

COD ID: 4026173
CIF file Formula: - C22 H17 Br -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P 1 21/m 1
Cell volume: 3377.7
Cell parameters: 11.9102; 19.4178; 14.6074; 90; 91.028; 90;  

COD ID: 4026174
CIF file Formula: - C13 H14 N2 S -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P 1 21/n 1
Cell volume: 1156
Cell parameters: 8.6678; 6.1892; 21.92; 90; 100.563; 90;  

COD ID: 4026175
CIF file Formula: - C16 H16 N2 -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P 21 21 21
Cell volume: 1280.6
Cell parameters: 5.5133; 9.0665; 25.619; 90; 90; 90;  

COD ID: 4026176
CIF file Formula: - C20 H22 N2 O -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P 1 21/c 1
Cell volume: 1763
Cell parameters: 5.9552; 18.8208; 15.866; 90; 97.527; 90;  

COD ID: 4026177
CIF file Formula: - C26 H26 N2 O -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P 21 21 21
Cell volume: 2189.6
Cell parameters: 10.3577; 11.0416; 19.1457; 90; 90; 90;  

COD ID: 4026178
CIF file Formula: - C20 H21 F N2 O -
Comments: Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory Journal of Organic Chemistry 76 (2011) 1979-1991
Space group: P -1
Cell volume: 877.04
Cell parameters: 8.8802; 9.8243; 10.8484; 96.224; 96.788; 109.107;  

COD ID: 4026179
CIF file Formula: - C28 H27 N O4 S -
Comments: Junjun Tian; Rong Zhou; Haiyun Sun; Haibin Song; Zhengjie He Phosphine-Catalyzed [4 + 1] Annulation between α,β-Unsaturated Imines and Allylic Carbonates: Synthesis of 2-Pyrrolines Journal of Organic Chemistry 76 (2011) 2374-2378
Space group: P 1 21/n 1
Cell volume: 2373
Cell parameters: 7.7073; 12.316; 25.27; 90; 98.4; 90;  

COD ID: 4026180
CIF file Formula: - C18 H15 Br N2 O4 -
Comments: Yao-Zong Liu; Rui-Ling Cheng; Peng-Fei Xu Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β-Nitrostyrenes Catalyzed by Bifunctional Thioureas: A Simple Access to 2-Functionalized Indoles Journal of Organic Chemistry 76 (2011) 2884-2887
Space group: P 1 21/c 1
Cell volume: 1757
Cell parameters: 8.87; 11.581; 17.35; 90; 99.727; 90;  

COD ID: 4026181
CIF file Formula: - C58 H39 B F24 N3 Rh -
Comments: Marianne Lenes Rosenberg; Klára Vlašaná; Nalinava Sen Gupta; David Wragg; Mats Tilset Highlycis-Selective Rh(I)-Catalyzed Cyclopropanation Reactions Journal of Organic Chemistry 76 (2011) 2465-2470
Space group: C 1 2/m 1
Cell volume: 5703
Cell parameters: 18.846; 16.285; 18.584; 90; 90.355; 90;  

COD ID: 4026182
CIF file Formula: - C26 H24 N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1181.79
Cell parameters: 8.6158; 9.1007; 15.9933; 90.237; 94.663; 108.912;  

COD ID: 4026183
CIF file Formula: - C30 H26 N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1308.71
Cell parameters: 9.7543; 12.0791; 13.3845; 64.274; 72.292; 69.47;  

COD ID: 4026184
CIF file Formula: - C26 H23 N3 O7 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1229.17
Cell parameters: 7.487; 12.768; 13.672; 105.968; 100.785; 91.999;  

COD ID: 4026185
CIF file Formula: - C26 H23 Br N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1242.99
Cell parameters: 9.2163; 11.8473; 13.3206; 64.949; 73.644; 73.847;  

COD ID: 4026186
CIF file Formula: - C26 H23 Br N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1224.72
Cell parameters: 10.1649; 11.569; 12.0038; 62.991; 76.864; 84.433;  

COD ID: 4026187
CIF file Formula: - C23 H26 N2 O6 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: C 1 2/c 1
Cell volume: 4489.14
Cell parameters: 28.1546; 8.2808; 21.8419; 90; 118.169; 90;  

COD ID: 4026188
CIF file Formula: - C22 H24 N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P c a b
Cell volume: 4369
Cell parameters: 10.0542; 18.2032; 23.872; 90; 90; 90;  

COD ID: 4026189
CIF file Formula: - C22 H23 N3 O7 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1136.68
Cell parameters: 8.6303; 10.7438; 13.4034; 81.226; 76.262; 70.854;  

COD ID: 4026190
CIF file Formula: - C22 H23 Br N2 O5 S -
Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891
Space group: P -1
Cell volume: 1129.81
Cell parameters: 8.8982; 10.2771; 13.5859; 80.865; 72.579; 72.938;  

COD ID: 4026191
CIF file Formula: - C25 H37 Br O3 Si -
Comments: Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang Formal Synthesis of Cortistatins Journal of Organic Chemistry 76 (2011) 2479-2487
Space group: P 1 21 1
Cell volume: 1262.9
Cell parameters: 10.342; 6.7854; 18.153; 90; 97.52; 90;  

COD ID: 4026192
CIF file Formula: - C25 H36 O4 Si -
Comments: Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang Formal Synthesis of Cortistatins Journal of Organic Chemistry 76 (2011) 2479-2487
Space group: P 1 21/c 1
Cell volume: 2469.7
Cell parameters: 18.718; 8.9611; 14.835; 90; 97.02; 90;  

COD ID: 4026193
CIF file Formula: - C74 H6 O S4 -
Comments: Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60 Journal of Organic Chemistry 76 (2011) 2548-2557
Space group: P 1 21/c 1
Cell volume: 4047
Cell parameters: 13.491; 13.676; 21.937; 90; 90.794; 90;  

COD ID: 4026194
CIF file Formula: - C70 H8 Cl3 N O -
Comments: Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60 Journal of Organic Chemistry 76 (2011) 2548-2557
Space group: P 1 21/c 1
Cell volume: 3757.6
Cell parameters: 10.1957; 19.914; 18.513; 90; 91.457; 90;  

COD ID: 4026195
CIF file Formula: - C18 H15 I O -
Comments: Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides Journal of Organic Chemistry 76 (2011) 2521-2531
Space group: P 1 21 1
Cell volume: 732.51
Cell parameters: 8.1967; 9.8216; 9.2868; 90; 101.543; 90;  

COD ID: 4026196
CIF file Formula: - C18 H15 F O -
Comments: Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides Journal of Organic Chemistry 76 (2011) 2521-2531
Space group: P 1 c 1
Cell volume: 672.86
Cell parameters: 5.6207; 8.9814; 13.4657; 90; 98.176; 90;  

COD ID: 4026197
CIF file Formula: - C25 H42 N2 O S2 Si2 -
Comments: Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties Journal of Organic Chemistry 76 (2011) 2660-2671
Space group: P -4 21 c
Cell volume: 2821.2
Cell parameters: 14.4658; 14.4658; 13.482; 90; 90; 90;  

COD ID: 4026198
CIF file Formula: - C16 H20 O2 S2 Si2 -
Comments: Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties Journal of Organic Chemistry 76 (2011) 2660-2671
Space group: P n n a
Cell volume: 3754
Cell parameters: 15.36; 12.783; 19.119; 90; 90; 90;  

COD ID: 4026199
CIF file Formula: - C26 H42 N2 O2 S2 Si2 -
Comments: Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties Journal of Organic Chemistry 76 (2011) 2660-2671
Space group: P 1 2/n 1
Cell volume: 2900.1
Cell parameters: 18.711; 8.334; 18.767; 90; 97.692; 90;  

COD ID: 4026200
CIF file

HKL data

 Formula: - C12 H18 N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 21 21 21
Cell volume: 1255.11
Cell parameters: 9.533; 10.9995; 11.9696; 90; 90; 90;  

COD ID: 4026201
CIF file

HKL data

 Formula: - C13 H20 N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 21 21 21
Cell volume: 1373.34
Cell parameters: 7.6755; 10.2448; 17.465; 90; 90; 90;  

COD ID: 4026202
CIF file

HKL data

 Formula: - C15 H23 Cl N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 21 21 21
Cell volume: 1734.03
Cell parameters: 6.5475; 16.1647; 16.3838; 90; 90; 90;  

COD ID: 4026203
CIF file

HKL data

 Formula: - C16 H25 Cl N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 1
Cell volume: 890.65
Cell parameters: 6.3446; 11.0696; 13.4095; 102.652; 95.2089; 101.729;  

COD ID: 4026204
CIF file

HKL data

 Formula: - C17 H27 Cl N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 1 21 1
Cell volume: 1991.32
Cell parameters: 13.1061; 10.2071; 14.886; 90; 90.438; 90;  

COD ID: 4026205
CIF file

HKL data

 Formula: - C12 H20 N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 21 21 21
Cell volume: 1285.34
Cell parameters: 6.4544; 12.33061; 16.15021; 90; 90; 90;  

COD ID: 4026206
CIF file

HKL data

 Formula: - C13 H22 N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 21 21 21
Cell volume: 1519.93
Cell parameters: 8.7773; 11.8656; 14.594; 90; 90; 90;  

COD ID: 4026207
CIF file

HKL data

 Formula: - C16 H27 Cl N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 1 21 1
Cell volume: 905.36
Cell parameters: 10.2036; 8.6192; 10.5131; 90; 101.707; 90;  

COD ID: 4026208
CIF file

HKL data

 Formula: - C15 H24 N2 O S -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 1 21 1
Cell volume: 768.49
Cell parameters: 5.9363; 7.4643; 17.4672; 90; 96.8255; 90;  

COD ID: 4026209
CIF file

HKL data

 Formula: - C36 H66 Cl2 N4 O3 S2 -
Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647
Space group: P 65
Cell volume: 3339.4
Cell parameters: 17.6766; 17.6766; 12.3407; 90; 90; 120;  

COD ID: 4026210
CIF file Formula: - C19 H18 F3 N3 O4 -
Comments: Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase Journal of Organic Chemistry 76 (2011) 2899-2903
Space group: P 21 21 21
Cell volume: 1788.7
Cell parameters: 6.1794; 10.36; 27.9401; 90; 90; 90;  

COD ID: 4026211
CIF file Formula: - C30 H25 Br N2 O -
Comments: Takayoshi Arai; Makiko Wasai; Naota Yokoyama Easy Access to Fully Functionalized Chiral Tetrahydro-β-Carboline Alkaloids Journal of Organic Chemistry 76 (2011) 2909-2912
Space group: P 21 21 21
Cell volume: 2888.5
Cell parameters: 10.2659; 16.5538; 16.9975; 90; 90; 90;  

COD ID: 4026212
CIF file Formula: - C26 H26 N2 O4 S2 -
Comments: Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes Journal of Organic Chemistry 76 (2011) 2448-2458
Space group: P 1 21/c 1
Cell volume: 2419.8
Cell parameters: 10.6539; 21.564; 10.5326; 90; 90.132; 90;  

COD ID: 4026213
CIF file Formula: - C36 H54 Br2 N2 O4 S2 -
Comments: Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes Journal of Organic Chemistry 76 (2011) 2448-2458
Space group: P -1
Cell volume: 984.68
Cell parameters: 8.2394; 11.41; 11.7344; 72.417; 89.019; 70.156;  

COD ID: 4026214
CIF file Formula: - C28 H22 S8 -
Comments: Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems Journal of Organic Chemistry 76 (2011) 2701-2715
Space group: P 1 21/c 1
Cell volume: 1388
Cell parameters: 5.352; 7.214; 35.96; 90; 90.798; 90;  

COD ID: 4026215
CIF file Formula: - C35 H25 S8 -
Comments: Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems Journal of Organic Chemistry 76 (2011) 2701-2715
Space group: P -1
Cell volume: 1624.2
Cell parameters: 7.827; 8.897; 23.452; 91.643; 90.138; 95.741;  

COD ID: 4026216
CIF file Formula: - C13 H19 Br N2 O3 -
Comments: Guolin Cheng; Xinyan Wang; Rui Zhu; Changwei Shao; Jimin Xu; Yuefei Hu Total Synthesis of (-)-Cocaine and (-)-Ferruginine Journal of Organic Chemistry 76 (2011) 2694-2700
Space group: P 21 21 21
Cell volume: 1477.1
Cell parameters: 6.0781; 12.324; 19.719; 90; 90; 90;  

COD ID: 4026217
CIF file Formula: - C6 H13 B F3 N -
Comments: Jessica Raushel; Deidre L. Sandrock; Kanth V. Josyula; Deborah Pakyz; Gary A. Molander Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki-Miyaura Cross-Coupling Reactions Journal of Organic Chemistry 76 (2011) 2762-2769
Space group: P 21 21 21
Cell volume: 811.04
Cell parameters: 5.8249; 11.1726; 12.4624; 90; 90; 90;  


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