Crystallography Open Database

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1517421 CIFC23 H21 N O3 SP b c a6.387; 16.5721; 37.2128
90; 90; 90		3938.8Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi
Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines.
Organic letters, 2014, 16, 4554
1517428 CIFC92 H134 Cl Li2 N2 O11 YbP 21 21 2117.4299; 17.8218; 28.919
90; 90; 90		8983.2Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming
Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.
Organic letters, 2014, 16, 4516
1517429 CIFC92 H134 Cl Li2 N2 O11 YP 21 21 2117.533; 17.8098; 28.931
90; 90; 90		9034Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming
Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.
Organic letters, 2014, 16, 4516
1517430 CIFC92 H134 Cl Li2 N2 O11 SmP 21 21 2117.6443; 17.7644; 28.917
90; 90; 90		9063.8Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming
Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.
Organic letters, 2014, 16, 4516
1517431 CIFC92 H134 Cl Li2 N2 Nd O11P 21 21 2117.7338; 17.7079; 28.905
90; 90; 90		9077Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming
Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.
Organic letters, 2014, 16, 4516
1517432 CIFC43 H31 Cl6 N2P -4 21 c22.782; 22.782; 7.373
90; 90; 90		3826.7Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao
Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.
Organic letters, 2014, 16, 4622
1517433 CIFC50 H42 N4I -423.0796; 23.0796; 7.0154
90; 90; 90		3736.9Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao
Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.
Organic letters, 2014, 16, 4622
1517434 CIFC35 H45 Br N3 P PdP -110.6706; 10.6783; 14.703
102.874; 99.107; 91.369		1609.6Yang, Yang; Niedermann, Katrin; Han, Chong; Buchwald, Stephen L.
Highly Selective Palladium-Catalyzed Cross-Coupling of Secondary Alkylzinc Reagents with Heteroaryl Halides.
Organic letters, 2014, 16, 4638
1517435 CIFC18 H24 N2 O2P 1 21/c 113.2223; 8.06237; 16.5867
90; 109.428; 90		1667.51Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Organic letters, 2014, 16, 4650
1517436 CIFC19 H20 N2 O2P -18.4089; 10.0499; 12.6368
102.268; 103.727; 110.298		920.7Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Organic letters, 2014, 16, 4650
1517437 CIFC24 H28 N4 O4P -16.2135; 9.64; 9.692
85.789; 73.02; 86.307		553.2Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Organic letters, 2014, 16, 4650
1517438 CIFC19 H20 N2 O2P 1 21/c 112.1536; 17.301; 7.936
90; 102.907; 90		1626.54Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Organic letters, 2014, 16, 4650
1517439 CIFC18 H24 N2 O2P -16.4874; 11.048; 12.397
69.31; 77.922; 88.901		811.4Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
Organic letters, 2014, 16, 4650
1517440 CIFC12 H14 O3P 1 21/c 110.1115; 9.668; 10.4467
90; 100.429; 90		1004.38Liu, Gang; Mei, Guangjian; Chen, Runwen; Yuan, Haina; Yang, Zhen; Li, Chuang-Chuang
Total Synthesis of Aplykurodinone-1.
Organic letters, 2014, 16, 4380
1517448 CIFC16 H18 OP 1 21/c 15.4204; 12.4685; 17.572
90; 90.674; 90		1187.5Usui, Kazuteru; Tanoue, Kensuke; Yamamoto, Kosuke; Shimizu, Takashi; Suemune, Hiroshi
Synthesis of Substituted Azulenes via Pt(II)-Catalyzed Ring-Expanding Cycloisomerization.
Organic letters, 2014, 16, 4662
1517449 CIFC12 H13 N O4P 1 21/n 111.684; 8.087; 12.813
90; 102.115; 90		1183.7Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517450 CIFC22 H20 N2 O5P -18.2344; 9.9972; 12.32
89.301; 88.435; 76.903		987.4Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517451 CIFC16 H15.33 N O4.17 SR -3 :H27.829; 27.829; 10.1784
90; 90; 120		6826.6Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517452 CIFC10 H10 O4P 1 21 16.596; 25.254; 17.052
90; 91.13; 90		2839.9Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517453 CIFC18 H16 N2 O4P 1 21/c 18.521; 25.161; 7.998
90; 112.16; 90		1588.1Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517454 CIFC18 H17 N O5 SP -18.6491; 9.9027; 11.698
69.219; 71.332; 73.696		871.51Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517455 CIFC21 H23 N O5 SF d d 212.135; 55.75; 11.738
90; 90; 90		7941Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517456 CIFC15 H19 N O4P 1 21/c 19.2395; 8.4743; 19.634
90; 99.069; 90		1518.1Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517457 CIFC13 H15 N O4P -16.954; 8.706; 10.605
86.06; 86.801; 83.376		635.5Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki
A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.
Organic letters, 2014, 16, 4634
1517460 CIFC25 H25 N O6 S2P -19.47446; 10.43989; 12.5041
86.167; 87.943; 74.807		1190.69Kiyokawa, Kensuke; Yahata, Shunsuke; Kojima, Takumi; Minakata, Satoshi
Hypervalent Iodine(III)-Mediated Oxidative Decarboxylation of β,γ-Unsaturated Carboxylic Acids.
Organic letters, 2014, 16, 4646
1517461 CIFC17 H20 O6P 21 21 217.0361; 14.3568; 15.7212
90; 90; 90		1588.1Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G
Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.
Organic letters, 2014, 16, 4543
1517462 CIFC30 H32 O12P 21 21 219.1869; 9.663; 30.231
90; 90; 90		2683.7Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G
Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.
Organic letters, 2014, 16, 4543
1517463 CIFC21 H24 O9P 21 21 217.5952; 13.8502; 19.741
90; 90; 90		2076.7Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G
Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.
Organic letters, 2014, 16, 4543
1517464 CIFC24 H26 O9P 21 21 218.3895; 14.3785; 19.2943
90; 90; 90		2327.44Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G
Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.
Organic letters, 2014, 16, 4543
1517483 CIFC20 H26 N2 O5P -17.9804; 9.89; 12.2837
77.07; 84.753; 87.947		940.85Suneel Kumar, Chepuri V.; Ramana, Chepuri V.
Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.
Organic letters, 2014, 16, 4766-4769
1517484 CIFC25 H26 N2 O5C 1 2/c 126.4774; 8.7506; 17.7496
90; 123.531; 90		3428.1Suneel Kumar, Chepuri V.; Ramana, Chepuri V.
Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.
Organic letters, 2014, 16, 4766-4769
1517485 CIFC19 H28 O6P 1 21 15.5715; 8.068; 20.262
90; 92.513; 90		909.9Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi
Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.
Organic letters, 2014, 16, 4695-4697
1517486 CIFC33 H34 Br2 O8P 1 21 115.188; 5.728; 18.462
90; 106.78; 90		1537.7Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi
Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.
Organic letters, 2014, 16, 4695-4697
1517487 CIFC14 H17 N O4P -16.9183; 9.7324; 10.5986
68.2765; 79.1821; 79.3466		645.93Levinson, Adam M.
Total Synthesis of Aspeverin via an Iodine(III)-Mediated Oxidative Cyclization.
Organic letters, 2014, 16, 4904-4907
1517488 CIFC26 H29 N3 O5P 21 21 214.8053; 25.638; 6.416
90; 90; 90		2435.4Zhang, Peng; Mándi, Attila; Li, Xiao-Ming; Du, Feng-Yu; Wang, Jia-Ning; Li, Xin; Kurtán, Tibor; Wang, Bin-Gui
Varioxepine A, a 3H-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus Paecilomyces variotii.
Organic letters, 2014, 16, 4834-4837
1517489 CIFC11 H11 N O2P n a 217.2675; 12.9319; 9.6419
90; 90; 90		906.17Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.
Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.
Organic letters, 2014, 16, 4718-4721
1517490 CIFC16 H20.5 N2 O3.25P 1 21/n 110.1273; 12.4095; 24.1328
90; 91.343; 90		3032Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.
Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.
Organic letters, 2014, 16, 4718-4721
1517499 CIFC17 H14 Br N O3P 21 21 218.637; 9.6961; 18.1885
90; 90; 90		1523.2Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.
Organic letters, 2014, 16, 4244-4247
1517500 CIFC17 H12 Br N O3P 1 21 17.1926; 8.6657; 12.0477
90; 97.974; 90		743.66Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.
Organic letters, 2014, 16, 4244-4247
1517501 CIFC19 H24 Cl N OC -126.96214; 12.68483; 21.88641
90.4219; 104.544; 89.797		7245.32Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A.
Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles.
Organic letters, 2014, 16, 4308-4311
1517502 CIFC26 H28 N2 O5 SP 1 21/c 115.633; 11.937; 15.622
90; 117.347; 90		2589.4Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun
Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.
Organic letters, 2014, 16, 4316-4319
1517503 CIFC31 H34 N2 O5 SP -111.193; 12.098; 12.443
114.492; 94.169; 98.744		1498.2Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun
Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.
Organic letters, 2014, 16, 4316-4319
1517504 CIFC20 H30 O6P 21 21 217.359; 12.959; 19.109
90; 90; 90		1822.3Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan
Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.
Organic letters, 2014, 16, 4320-4323
1517505 CIFC20 H38 O9P 21 21 216.8656; 15.7655; 20.081
90; 90; 90		2173.6Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan
Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.
Organic letters, 2014, 16, 4320-4323
1517506 CIFC18 H20 N2 O4 S2P 1 21 17.5547; 13.2602; 9.458
90; 91.7472; 90		947.03Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347
1517507 CIFC32 H32 N2 O4 S2P 1 21 17.5629; 23.846; 7.9703
90; 92.1068; 90		1436.43Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347
1517508 CIFC24 H28 N2 O4 S2C 1 2 124.6086; 7.9486; 15.1824
90; 127.722; 90		2349.02Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347
1517509 CIFC24 H25 Br N2 O4 S2P 1 21 17.5263; 18.5552; 18.2559
90; 101.391; 90		2499.25Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347
1517510 CIFC24 H25 Br N2 O4 S2P 1 21 114.4613; 11.6161; 15.1339
90; 106.069; 90		2442.9Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347
1517511 CIFC20 H24 N2 O4 S2P 21 21 2110.3346; 10.9278; 18.3511
90; 90; 90		2072.47Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
Organic letters, 2014, 16, 4344-4347

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