Information card for entry 4020824

Structure parameters

• Formula: C29 H36 O3
• Calculated formula: C29 H36 O3
• SMILES: O=C1[C@@H]2[C@](CCC1)(CC2)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)(C)c1ccc2ccccc2c1
• Title of publication: Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes
• Authors of publication: Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 785 - 789
• a: 11.0801 ± 0.0009 Å
• b: 20.731 ± 0.002 Å
• c: 10.85 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2492.2 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No