Information card for entry 8100707

Structure parameters

• Formula: C16 H16 O2
• Calculated formula: C16 H16 O2
• Title of publication: Crystal structure of 2SR,5SR,5aSR,11bSR-5-methyl-1,5,5a,11b-tetrahydro- 2,5-methanonaphtho[2,1-c]oxepin-3(2H)-one, C~16~H~16~O~2~
• Authors of publication: Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 425 - 426
• a: 12.475 ± 0.004 Å
• b: 7.515 ± 0.005 Å
• c: 13.259 ± 0.004 Å
• α: 90 ± 0.03°
• β: 95.55 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1237.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No